USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 983 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 SER OG : rot 1:sc= 0.0987 USER MOD Set 1.2: A 72 SER OG : rot -41:sc= 1.17 USER MOD Set 2.1: A 13 THR OG1 : rot 25:sc= 0.954 USER MOD Set 2.2: A 16 THR OG1 : rot 95:sc= 2.06 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.0843 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0278 USER MOD Single : A 6 SER OG : rot 9:sc= 0.891 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.108 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0264 K(o=-0.026,f=-0.93) USER MOD Single : A 22 ASN :FLIP amide:sc=-0.00418 F(o=-0.7,f=-0.0042) USER MOD Single : A 28 LYS NZ :NH3+ 158:sc= -0.0562 (180deg=-0.316) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.18) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 177:sc= 0.5 USER MOD Single : A 56 ASN : amide:sc= -0.256 K(o=-0.26,f=-2.3!) USER MOD Single : A 57 GLN : amide:sc= -0.442 X(o=-0.44,f=-0.067) USER MOD Single : A 59 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=-0.0028) USER MOD Single : A 68 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.64) USER MOD Single : A 69 THR OG1 : rot -13:sc= 0.859 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 108:sc= 1.24 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -42:sc= 0.136 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0317 X(o=-0.032,f=-0.19) USER MOD Single : A 86 CYS SG : rot -140:sc= -0.441 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.0403 X(o=-0.04,f=0) USER MOD Single : A 105 THR OG1 : rot 73:sc= 0.339 USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 165:sc= 0.0108 (180deg=0.00151) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 58:sc= 1.26 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.481 32.279 -11.941 1.00 0.00 N ATOM 2 CA GLY A 1 15.719 31.796 -10.580 1.00 0.00 C ATOM 3 C GLY A 1 16.111 30.338 -10.630 1.00 0.00 C ATOM 4 O GLY A 1 15.226 29.483 -10.716 1.00 0.00 O ATOM 0 H1 GLY A 1 15.211 33.283 -11.911 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.348 32.171 -12.504 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.714 31.727 -12.376 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.508 32.381 -10.107 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.822 31.923 -9.974 1.00 0.00 H new ATOM 8 N SER A 2 17.408 30.030 -10.574 1.00 0.00 N ATOM 9 CA SER A 2 17.904 28.676 -10.416 1.00 0.00 C ATOM 10 C SER A 2 19.025 28.674 -9.376 1.00 0.00 C ATOM 11 O SER A 2 20.076 29.283 -9.584 1.00 0.00 O ATOM 12 CB SER A 2 18.311 28.084 -11.773 1.00 0.00 C ATOM 13 OG SER A 2 19.297 28.829 -12.467 1.00 0.00 O ATOM 0 H SER A 2 18.148 30.729 -10.639 1.00 0.00 H new ATOM 0 HA SER A 2 17.117 28.021 -10.041 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.682 27.071 -11.617 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.424 28.005 -12.402 1.00 0.00 H new ATOM 0 HG SER A 2 19.904 29.248 -11.822 1.00 0.00 H new ATOM 19 N SER A 3 18.799 27.992 -8.249 1.00 0.00 N ATOM 20 CA SER A 3 19.812 27.796 -7.220 1.00 0.00 C ATOM 21 C SER A 3 21.080 27.168 -7.821 1.00 0.00 C ATOM 22 O SER A 3 22.188 27.553 -7.443 1.00 0.00 O ATOM 23 CB SER A 3 19.237 26.919 -6.096 1.00 0.00 C ATOM 24 OG SER A 3 19.585 27.403 -4.815 1.00 0.00 O ATOM 0 H SER A 3 17.902 27.560 -8.028 1.00 0.00 H new ATOM 0 HA SER A 3 20.092 28.763 -6.801 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.151 26.880 -6.186 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.603 25.899 -6.209 1.00 0.00 H new ATOM 0 HG SER A 3 19.199 26.819 -4.129 1.00 0.00 H new ATOM 30 N GLY A 4 20.931 26.231 -8.761 1.00 0.00 N ATOM 31 CA GLY A 4 22.020 25.456 -9.330 1.00 0.00 C ATOM 32 C GLY A 4 21.869 24.020 -8.853 1.00 0.00 C ATOM 33 O GLY A 4 20.843 23.388 -9.112 1.00 0.00 O ATOM 0 H GLY A 4 20.021 25.989 -9.154 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.993 25.501 -10.419 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.982 25.863 -9.018 1.00 0.00 H new ATOM 37 N SER A 5 22.874 23.495 -8.158 1.00 0.00 N ATOM 38 CA SER A 5 22.880 22.152 -7.587 1.00 0.00 C ATOM 39 C SER A 5 21.753 21.975 -6.558 1.00 0.00 C ATOM 40 O SER A 5 21.219 22.951 -6.019 1.00 0.00 O ATOM 41 CB SER A 5 24.247 21.942 -6.919 1.00 0.00 C ATOM 42 OG SER A 5 25.283 22.410 -7.770 1.00 0.00 O ATOM 0 H SER A 5 23.735 24.010 -7.971 1.00 0.00 H new ATOM 0 HA SER A 5 22.712 21.416 -8.373 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.281 22.472 -5.967 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.395 20.884 -6.701 1.00 0.00 H new ATOM 0 HG SER A 5 26.150 22.273 -7.335 1.00 0.00 H new ATOM 48 N SER A 6 21.416 20.732 -6.214 1.00 0.00 N ATOM 49 CA SER A 6 20.715 20.406 -4.979 1.00 0.00 C ATOM 50 C SER A 6 21.109 19.000 -4.538 1.00 0.00 C ATOM 51 O SER A 6 21.364 18.130 -5.375 1.00 0.00 O ATOM 52 CB SER A 6 19.196 20.474 -5.178 1.00 0.00 C ATOM 53 OG SER A 6 18.749 21.793 -5.445 1.00 0.00 O ATOM 0 H SER A 6 21.625 19.918 -6.792 1.00 0.00 H new ATOM 0 HA SER A 6 20.994 21.132 -4.215 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.910 19.821 -6.003 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.697 20.097 -4.285 1.00 0.00 H new ATOM 0 HG SER A 6 19.522 22.377 -5.593 1.00 0.00 H new ATOM 59 N GLY A 7 21.137 18.755 -3.233 1.00 0.00 N ATOM 60 CA GLY A 7 21.317 17.414 -2.698 1.00 0.00 C ATOM 61 C GLY A 7 19.961 16.728 -2.575 1.00 0.00 C ATOM 62 O GLY A 7 18.918 17.372 -2.731 1.00 0.00 O ATOM 0 H GLY A 7 21.036 19.478 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.971 16.836 -3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.802 17.462 -1.723 1.00 0.00 H new ATOM 66 N MET A 8 19.976 15.435 -2.247 1.00 0.00 N ATOM 67 CA MET A 8 18.920 14.746 -1.517 1.00 0.00 C ATOM 68 C MET A 8 19.455 13.389 -1.062 1.00 0.00 C ATOM 69 O MET A 8 20.296 12.790 -1.733 1.00 0.00 O ATOM 70 CB MET A 8 17.649 14.565 -2.369 1.00 0.00 C ATOM 71 CG MET A 8 16.549 15.478 -1.818 1.00 0.00 C ATOM 72 SD MET A 8 14.947 15.351 -2.638 1.00 0.00 S ATOM 73 CE MET A 8 14.363 13.849 -1.832 1.00 0.00 C ATOM 0 H MET A 8 20.752 14.821 -2.493 1.00 0.00 H new ATOM 0 HA MET A 8 18.636 15.352 -0.657 1.00 0.00 H new ATOM 0 HB2 MET A 8 17.855 14.810 -3.411 1.00 0.00 H new ATOM 0 HB3 MET A 8 17.323 13.525 -2.344 1.00 0.00 H new ATOM 0 HG2 MET A 8 16.414 15.256 -0.759 1.00 0.00 H new ATOM 0 HG3 MET A 8 16.891 16.511 -1.886 1.00 0.00 H new ATOM 0 HE1 MET A 8 13.371 13.597 -2.208 1.00 0.00 H new ATOM 0 HE2 MET A 8 15.051 13.031 -2.045 1.00 0.00 H new ATOM 0 HE3 MET A 8 14.313 14.010 -0.755 1.00 0.00 H new ATOM 83 N ASN A 9 18.946 12.902 0.070 1.00 0.00 N ATOM 84 CA ASN A 9 19.148 11.533 0.530 1.00 0.00 C ATOM 85 C ASN A 9 18.073 10.645 -0.091 1.00 0.00 C ATOM 86 O ASN A 9 16.991 11.131 -0.459 1.00 0.00 O ATOM 87 CB ASN A 9 19.045 11.457 2.066 1.00 0.00 C ATOM 88 CG ASN A 9 20.225 12.117 2.757 1.00 0.00 C ATOM 89 OD1 ASN A 9 21.295 11.521 2.861 1.00 0.00 O ATOM 90 ND2 ASN A 9 20.084 13.352 3.206 1.00 0.00 N ATOM 0 H ASN A 9 18.372 13.460 0.702 1.00 0.00 H new ATOM 0 HA ASN A 9 20.141 11.197 0.231 1.00 0.00 H new ATOM 0 HB2 ASN A 9 18.122 11.938 2.390 1.00 0.00 H new ATOM 0 HB3 ASN A 9 18.985 10.413 2.373 1.00 0.00 H new ATOM 0 HD21 ASN A 9 20.871 13.827 3.648 1.00 0.00 H new ATOM 0 HD22 ASN A 9 19.188 13.830 3.111 1.00 0.00 H new ATOM 97 N LYS A 10 18.329 9.335 -0.112 1.00 0.00 N ATOM 98 CA LYS A 10 17.314 8.331 -0.422 1.00 0.00 C ATOM 99 C LYS A 10 16.078 8.494 0.482 1.00 0.00 C ATOM 100 O LYS A 10 16.210 8.971 1.612 1.00 0.00 O ATOM 101 CB LYS A 10 17.918 6.917 -0.390 1.00 0.00 C ATOM 102 CG LYS A 10 17.860 6.212 0.967 1.00 0.00 C ATOM 103 CD LYS A 10 18.740 6.869 2.031 1.00 0.00 C ATOM 104 CE LYS A 10 18.500 6.236 3.402 1.00 0.00 C ATOM 105 NZ LYS A 10 19.630 6.507 4.311 1.00 0.00 N ATOM 0 H LYS A 10 19.249 8.942 0.086 1.00 0.00 H new ATOM 0 HA LYS A 10 16.960 8.488 -1.441 1.00 0.00 H new ATOM 0 HB2 LYS A 10 17.398 6.301 -1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 10 18.960 6.977 -0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 10 16.828 6.199 1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 10 18.168 5.174 0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 10 19.790 6.765 1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 10 18.527 7.937 2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 10 17.579 6.629 3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 10 18.366 5.160 3.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 19.445 6.068 5.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 20.503 6.110 3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 19.740 7.534 4.432 1.00 0.00 H new ATOM 119 N PRO A 11 14.895 8.109 -0.015 1.00 0.00 N ATOM 120 CA PRO A 11 13.628 8.182 0.701 1.00 0.00 C ATOM 121 C PRO A 11 13.500 7.089 1.776 1.00 0.00 C ATOM 122 O PRO A 11 14.488 6.507 2.232 1.00 0.00 O ATOM 123 CB PRO A 11 12.559 8.139 -0.401 1.00 0.00 C ATOM 124 CG PRO A 11 13.229 7.361 -1.527 1.00 0.00 C ATOM 125 CD PRO A 11 14.691 7.707 -1.395 1.00 0.00 C ATOM 0 HA PRO A 11 13.524 9.093 1.290 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.651 7.644 -0.058 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.274 9.141 -0.721 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.062 6.289 -1.424 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.837 7.653 -2.501 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.317 6.851 -1.646 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.963 8.512 -2.078 1.00 0.00 H new ATOM 133 N LEU A 12 12.274 6.874 2.263 1.00 0.00 N ATOM 134 CA LEU A 12 11.952 6.055 3.423 1.00 0.00 C ATOM 135 C LEU A 12 12.459 4.625 3.221 1.00 0.00 C ATOM 136 O LEU A 12 12.271 4.041 2.157 1.00 0.00 O ATOM 137 CB LEU A 12 10.435 6.060 3.677 1.00 0.00 C ATOM 138 CG LEU A 12 9.782 7.403 4.069 1.00 0.00 C ATOM 139 CD1 LEU A 12 10.413 8.029 5.319 1.00 0.00 C ATOM 140 CD2 LEU A 12 9.730 8.456 2.952 1.00 0.00 C ATOM 0 H LEU A 12 11.445 7.288 1.836 1.00 0.00 H new ATOM 0 HA LEU A 12 12.449 6.477 4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.942 5.697 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.224 5.340 4.468 1.00 0.00 H new ATOM 0 HG LEU A 12 8.753 7.115 4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.913 8.971 5.546 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.303 7.347 6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.472 8.215 5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.254 9.362 3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.743 8.688 2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.156 8.066 2.111 1.00 0.00 H new ATOM 152 N THR A 13 13.098 4.052 4.241 1.00 0.00 N ATOM 153 CA THR A 13 13.623 2.697 4.197 1.00 0.00 C ATOM 154 C THR A 13 12.469 1.695 4.085 1.00 0.00 C ATOM 155 O THR A 13 11.382 2.011 4.587 1.00 0.00 O ATOM 156 CB THR A 13 14.478 2.426 5.450 1.00 0.00 C ATOM 157 OG1 THR A 13 13.950 2.993 6.645 1.00 0.00 O ATOM 158 CG2 THR A 13 15.897 2.970 5.270 1.00 0.00 C ATOM 0 H THR A 13 13.265 4.525 5.129 1.00 0.00 H new ATOM 0 HA THR A 13 14.260 2.581 3.320 1.00 0.00 H new ATOM 0 HB THR A 13 14.476 1.341 5.557 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.981 3.108 6.552 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.481 2.767 6.167 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.367 2.486 4.414 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.855 4.046 5.100 1.00 0.00 H new ATOM 166 N PRO A 14 12.700 0.478 3.552 1.00 0.00 N ATOM 167 CA PRO A 14 11.663 -0.536 3.430 1.00 0.00 C ATOM 168 C PRO A 14 10.992 -0.768 4.784 1.00 0.00 C ATOM 169 O PRO A 14 9.774 -0.710 4.900 1.00 0.00 O ATOM 170 CB PRO A 14 12.338 -1.807 2.891 1.00 0.00 C ATOM 171 CG PRO A 14 13.706 -1.358 2.385 1.00 0.00 C ATOM 172 CD PRO A 14 13.988 -0.046 3.122 1.00 0.00 C ATOM 0 HA PRO A 14 10.874 -0.224 2.745 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.436 -2.561 3.672 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.750 -2.254 2.089 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.471 -2.104 2.600 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.699 -1.211 1.305 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.642 -0.216 3.978 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.496 0.663 2.469 1.00 0.00 H new ATOM 180 N SER A 15 11.789 -0.950 5.832 1.00 0.00 N ATOM 181 CA SER A 15 11.358 -1.298 7.176 1.00 0.00 C ATOM 182 C SER A 15 10.657 -0.153 7.932 1.00 0.00 C ATOM 183 O SER A 15 10.314 -0.325 9.101 1.00 0.00 O ATOM 184 CB SER A 15 12.593 -1.815 7.945 1.00 0.00 C ATOM 185 OG SER A 15 13.603 -2.295 7.067 1.00 0.00 O ATOM 0 H SER A 15 12.802 -0.853 5.761 1.00 0.00 H new ATOM 0 HA SER A 15 10.593 -2.071 7.099 1.00 0.00 H new ATOM 0 HB2 SER A 15 12.999 -1.013 8.561 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.291 -2.614 8.622 1.00 0.00 H new ATOM 0 HG SER A 15 14.368 -2.612 7.591 1.00 0.00 H new ATOM 191 N THR A 16 10.469 1.030 7.335 1.00 0.00 N ATOM 192 CA THR A 16 9.671 2.096 7.944 1.00 0.00 C ATOM 193 C THR A 16 8.202 1.652 7.953 1.00 0.00 C ATOM 194 O THR A 16 7.740 1.065 6.980 1.00 0.00 O ATOM 195 CB THR A 16 9.849 3.399 7.137 1.00 0.00 C ATOM 196 OG1 THR A 16 11.188 3.593 6.711 1.00 0.00 O ATOM 197 CG2 THR A 16 9.416 4.637 7.921 1.00 0.00 C ATOM 0 H THR A 16 10.862 1.272 6.425 1.00 0.00 H new ATOM 0 HA THR A 16 9.996 2.285 8.967 1.00 0.00 H new ATOM 0 HB THR A 16 9.204 3.278 6.267 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.296 3.242 5.802 1.00 0.00 H new ATOM 0 HG21 THR A 16 9.562 5.526 7.307 1.00 0.00 H new ATOM 0 HG22 THR A 16 8.363 4.549 8.187 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.014 4.721 8.828 1.00 0.00 H new ATOM 205 N TYR A 17 7.448 1.937 9.015 1.00 0.00 N ATOM 206 CA TYR A 17 6.010 1.673 9.042 1.00 0.00 C ATOM 207 C TYR A 17 5.248 2.661 8.160 1.00 0.00 C ATOM 208 O TYR A 17 5.694 3.788 7.950 1.00 0.00 O ATOM 209 CB TYR A 17 5.504 1.843 10.468 1.00 0.00 C ATOM 210 CG TYR A 17 6.006 0.810 11.444 1.00 0.00 C ATOM 211 CD1 TYR A 17 5.634 -0.537 11.282 1.00 0.00 C ATOM 212 CD2 TYR A 17 6.812 1.200 12.528 1.00 0.00 C ATOM 213 CE1 TYR A 17 6.055 -1.493 12.218 1.00 0.00 C ATOM 214 CE2 TYR A 17 7.232 0.247 13.468 1.00 0.00 C ATOM 215 CZ TYR A 17 6.850 -1.103 13.316 1.00 0.00 C ATOM 216 OH TYR A 17 7.262 -2.036 14.210 1.00 0.00 O ATOM 0 H TYR A 17 7.812 2.353 9.872 1.00 0.00 H new ATOM 0 HA TYR A 17 5.846 0.660 8.674 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.793 2.831 10.826 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.414 1.814 10.458 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.026 -0.834 10.440 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.108 2.233 12.637 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.770 -2.528 12.098 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.846 0.546 14.305 1.00 0.00 H new ATOM 0 HH TYR A 17 7.802 -1.606 14.906 1.00 0.00 H new ATOM 226 N ILE A 18 4.029 2.295 7.753 1.00 0.00 N ATOM 227 CA ILE A 18 3.132 3.202 7.033 1.00 0.00 C ATOM 228 C ILE A 18 2.715 4.371 7.934 1.00 0.00 C ATOM 229 O ILE A 18 2.689 5.517 7.498 1.00 0.00 O ATOM 230 CB ILE A 18 1.856 2.496 6.505 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.982 0.983 6.244 1.00 0.00 C ATOM 232 CG2 ILE A 18 1.413 3.215 5.221 1.00 0.00 C ATOM 233 CD1 ILE A 18 2.817 0.673 5.012 1.00 0.00 C ATOM 0 H ILE A 18 3.638 1.366 7.913 1.00 0.00 H new ATOM 0 HA ILE A 18 3.694 3.566 6.173 1.00 0.00 H new ATOM 0 HB ILE A 18 1.116 2.567 7.302 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.431 0.504 7.114 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.987 0.554 6.122 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.516 2.738 4.828 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.200 4.260 5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.209 3.158 4.479 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.874 -0.407 4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.355 1.127 4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.821 1.076 5.142 1.00 0.00 H new ATOM 245 N ARG A 19 2.383 4.100 9.203 1.00 0.00 N ATOM 246 CA ARG A 19 1.843 5.117 10.114 1.00 0.00 C ATOM 247 C ARG A 19 2.853 6.217 10.445 1.00 0.00 C ATOM 248 O ARG A 19 2.470 7.286 10.924 1.00 0.00 O ATOM 249 CB ARG A 19 1.327 4.436 11.389 1.00 0.00 C ATOM 250 CG ARG A 19 2.448 3.960 12.335 1.00 0.00 C ATOM 251 CD ARG A 19 2.635 4.904 13.531 1.00 0.00 C ATOM 252 NE ARG A 19 1.861 4.443 14.695 1.00 0.00 N ATOM 253 CZ ARG A 19 2.284 4.562 15.956 1.00 0.00 C ATOM 254 NH1 ARG A 19 3.160 5.500 16.294 1.00 0.00 N ATOM 255 NH2 ARG A 19 1.866 3.730 16.896 1.00 0.00 N ATOM 0 H ARG A 19 2.480 3.176 9.625 1.00 0.00 H new ATOM 0 HA ARG A 19 1.018 5.615 9.605 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.682 5.131 11.926 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.712 3.581 11.110 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.215 2.959 12.697 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.384 3.889 11.780 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.692 4.960 13.792 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.320 5.911 13.256 1.00 0.00 H new ATOM 0 HE ARG A 19 0.953 4.009 14.530 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.519 6.141 15.587 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.474 5.579 17.261 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.211 2.984 16.662 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.199 3.835 17.854 1.00 0.00 H new ATOM 269 N ASN A 20 4.141 5.945 10.226 1.00 0.00 N ATOM 270 CA ASN A 20 5.203 6.924 10.393 1.00 0.00 C ATOM 271 C ASN A 20 5.075 8.020 9.338 1.00 0.00 C ATOM 272 O ASN A 20 5.502 9.151 9.576 1.00 0.00 O ATOM 273 CB ASN A 20 6.585 6.278 10.229 1.00 0.00 C ATOM 274 CG ASN A 20 7.054 5.441 11.413 1.00 0.00 C ATOM 275 OD1 ASN A 20 6.261 4.902 12.178 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.357 5.273 11.542 1.00 0.00 N ATOM 0 H ASN A 20 4.473 5.029 9.925 1.00 0.00 H new ATOM 0 HA ASN A 20 5.108 7.338 11.397 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.570 5.646 9.341 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.317 7.065 10.048 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.724 4.685 12.290 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.997 5.732 10.894 1.00 0.00 H new ATOM 283 N LEU A 21 4.533 7.700 8.162 1.00 0.00 N ATOM 284 CA LEU A 21 4.652 8.555 6.996 1.00 0.00 C ATOM 285 C LEU A 21 3.854 9.840 7.212 1.00 0.00 C ATOM 286 O LEU A 21 2.764 9.839 7.791 1.00 0.00 O ATOM 287 CB LEU A 21 4.220 7.818 5.721 1.00 0.00 C ATOM 288 CG LEU A 21 4.984 6.515 5.352 1.00 0.00 C ATOM 289 CD1 LEU A 21 5.037 6.393 3.830 1.00 0.00 C ATOM 290 CD2 LEU A 21 6.426 6.467 5.878 1.00 0.00 C ATOM 0 H LEU A 21 4.003 6.844 7.999 1.00 0.00 H new ATOM 0 HA LEU A 21 5.699 8.825 6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.162 7.572 5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.312 8.511 4.884 1.00 0.00 H new ATOM 0 HG LEU A 21 4.440 5.695 5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.571 5.483 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.023 6.353 3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.556 7.257 3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.891 5.528 5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.993 7.301 5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.419 6.539 6.966 1.00 0.00 H new ATOM 302 N ASN A 22 4.446 10.957 6.789 1.00 0.00 N ATOM 303 CA ASN A 22 3.917 12.288 7.060 1.00 0.00 C ATOM 304 C ASN A 22 2.656 12.506 6.221 1.00 0.00 C ATOM 305 O ASN A 22 2.547 11.921 5.143 1.00 0.00 O ATOM 306 CB ASN A 22 4.994 13.329 6.696 1.00 0.00 C ATOM 307 CG ASN A 22 5.019 14.614 7.518 1.00 0.00 C ATOM 308 OD1 ASN A 22 4.102 14.873 8.432 1.00 0.00 O flip ATOM 309 ND2 ASN A 22 5.930 15.412 7.330 1.00 0.00 N flip ATOM 0 H ASN A 22 5.310 10.961 6.247 1.00 0.00 H new ATOM 0 HA ASN A 22 3.659 12.392 8.114 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.970 12.852 6.783 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.864 13.599 5.648 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.641 15.217 6.625 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.977 16.271 7.878 1.00 0.00 H new ATOM 316 N VAL A 23 1.756 13.400 6.635 1.00 0.00 N ATOM 317 CA VAL A 23 0.545 13.752 5.903 1.00 0.00 C ATOM 318 C VAL A 23 0.848 14.148 4.455 1.00 0.00 C ATOM 319 O VAL A 23 0.116 13.751 3.553 1.00 0.00 O ATOM 320 CB VAL A 23 -0.210 14.838 6.694 1.00 0.00 C ATOM 321 CG1 VAL A 23 0.583 16.146 6.860 1.00 0.00 C ATOM 322 CG2 VAL A 23 -1.574 15.126 6.070 1.00 0.00 C ATOM 0 H VAL A 23 1.855 13.911 7.512 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.105 12.881 5.819 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.348 14.428 7.694 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.012 16.863 7.427 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.512 15.943 7.393 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.811 16.560 5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.084 15.896 6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.440 15.472 5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.174 14.216 6.070 1.00 0.00 H new ATOM 332 N GLY A 24 1.957 14.855 4.204 1.00 0.00 N ATOM 333 CA GLY A 24 2.362 15.175 2.846 1.00 0.00 C ATOM 334 C GLY A 24 2.597 13.909 2.039 1.00 0.00 C ATOM 335 O GLY A 24 2.042 13.785 0.959 1.00 0.00 O ATOM 0 H GLY A 24 2.582 15.211 4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.593 15.780 2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.273 15.774 2.865 1.00 0.00 H new ATOM 339 N ILE A 25 3.366 12.947 2.558 1.00 0.00 N ATOM 340 CA ILE A 25 3.645 11.684 1.880 1.00 0.00 C ATOM 341 C ILE A 25 2.337 10.919 1.651 1.00 0.00 C ATOM 342 O ILE A 25 2.135 10.394 0.562 1.00 0.00 O ATOM 343 CB ILE A 25 4.683 10.863 2.656 1.00 0.00 C ATOM 344 CG1 ILE A 25 5.932 11.701 2.988 1.00 0.00 C ATOM 345 CG2 ILE A 25 5.101 9.617 1.858 1.00 0.00 C ATOM 346 CD1 ILE A 25 6.573 12.496 1.844 1.00 0.00 C ATOM 0 H ILE A 25 3.815 13.027 3.470 1.00 0.00 H new ATOM 0 HA ILE A 25 4.083 11.886 0.903 1.00 0.00 H new ATOM 0 HB ILE A 25 4.214 10.553 3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.666 12.403 3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.688 11.031 3.398 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.837 9.050 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.227 8.993 1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.536 9.923 0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.441 13.038 2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.886 11.811 1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.848 13.204 1.443 1.00 0.00 H new ATOM 358 N LEU A 26 1.434 10.886 2.636 1.00 0.00 N ATOM 359 CA LEU A 26 0.097 10.314 2.503 1.00 0.00 C ATOM 360 C LEU A 26 -0.670 10.967 1.349 1.00 0.00 C ATOM 361 O LEU A 26 -1.337 10.266 0.586 1.00 0.00 O ATOM 362 CB LEU A 26 -0.652 10.462 3.846 1.00 0.00 C ATOM 363 CG LEU A 26 -0.457 9.241 4.761 1.00 0.00 C ATOM 364 CD1 LEU A 26 -0.824 9.560 6.208 1.00 0.00 C ATOM 365 CD2 LEU A 26 -1.326 8.072 4.299 1.00 0.00 C ATOM 0 H LEU A 26 1.619 11.264 3.565 1.00 0.00 H new ATOM 0 HA LEU A 26 0.178 9.254 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.300 11.357 4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.716 10.602 3.653 1.00 0.00 H new ATOM 0 HG LEU A 26 0.598 8.973 4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.674 8.674 6.825 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.191 10.369 6.574 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.869 9.865 6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.171 7.220 4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.375 8.366 4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.052 7.795 3.281 1.00 0.00 H new ATOM 377 N ARG A 27 -0.586 12.292 1.197 1.00 0.00 N ATOM 378 CA ARG A 27 -1.205 13.029 0.094 1.00 0.00 C ATOM 379 C ARG A 27 -0.487 12.746 -1.228 1.00 0.00 C ATOM 380 O ARG A 27 -1.149 12.606 -2.253 1.00 0.00 O ATOM 381 CB ARG A 27 -1.254 14.536 0.422 1.00 0.00 C ATOM 382 CG ARG A 27 -2.247 14.863 1.556 1.00 0.00 C ATOM 383 CD ARG A 27 -3.693 15.004 1.055 1.00 0.00 C ATOM 384 NE ARG A 27 -4.660 14.555 2.068 1.00 0.00 N ATOM 385 CZ ARG A 27 -5.970 14.816 2.132 1.00 0.00 C ATOM 386 NH1 ARG A 27 -6.515 15.768 1.387 1.00 0.00 N ATOM 387 NH2 ARG A 27 -6.730 14.095 2.946 1.00 0.00 N ATOM 0 H ARG A 27 -0.078 12.891 1.848 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.232 12.685 -0.028 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.258 14.875 0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.535 15.090 -0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.203 14.077 2.310 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.944 15.790 2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.890 16.045 0.798 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.822 14.421 0.143 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.284 13.971 2.815 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.933 16.315 0.752 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.516 15.953 1.449 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.313 13.355 3.511 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.731 14.281 3.007 1.00 0.00 H new ATOM 401 N LYS A 28 0.843 12.615 -1.236 1.00 0.00 N ATOM 402 CA LYS A 28 1.599 12.247 -2.434 1.00 0.00 C ATOM 403 C LYS A 28 1.168 10.869 -2.916 1.00 0.00 C ATOM 404 O LYS A 28 0.977 10.666 -4.109 1.00 0.00 O ATOM 405 CB LYS A 28 3.111 12.240 -2.188 1.00 0.00 C ATOM 406 CG LYS A 28 3.691 13.586 -1.748 1.00 0.00 C ATOM 407 CD LYS A 28 5.111 13.803 -2.282 1.00 0.00 C ATOM 408 CE LYS A 28 5.129 14.566 -3.613 1.00 0.00 C ATOM 409 NZ LYS A 28 4.629 15.954 -3.484 1.00 0.00 N ATOM 0 H LYS A 28 1.425 12.761 -0.411 1.00 0.00 H new ATOM 0 HA LYS A 28 1.385 13.000 -3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.338 11.495 -1.426 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.613 11.924 -3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.045 14.391 -2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.702 13.637 -0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.693 14.354 -1.543 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.597 12.837 -2.415 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.147 14.586 -4.002 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.520 14.031 -4.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.993 16.529 -4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.589 15.952 -3.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.953 16.357 -2.582 1.00 0.00 H new ATOM 423 N LEU A 29 1.021 9.920 -1.994 1.00 0.00 N ATOM 424 CA LEU A 29 0.473 8.605 -2.277 1.00 0.00 C ATOM 425 C LEU A 29 -0.911 8.727 -2.893 1.00 0.00 C ATOM 426 O LEU A 29 -1.113 8.167 -3.965 1.00 0.00 O ATOM 427 CB LEU A 29 0.479 7.729 -1.013 1.00 0.00 C ATOM 428 CG LEU A 29 1.712 6.815 -0.901 1.00 0.00 C ATOM 429 CD1 LEU A 29 1.565 5.580 -1.798 1.00 0.00 C ATOM 430 CD2 LEU A 29 3.045 7.510 -1.210 1.00 0.00 C ATOM 0 H LEU A 29 1.284 10.049 -1.017 1.00 0.00 H new ATOM 0 HA LEU A 29 1.108 8.106 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.434 8.373 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.421 7.114 -1.004 1.00 0.00 H new ATOM 0 HG LEU A 29 1.747 6.520 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.450 4.951 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.683 5.015 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.457 5.895 -2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.861 6.794 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.027 7.896 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.196 8.334 -0.513 1.00 0.00 H new ATOM 442 N SER A 30 -1.856 9.454 -2.288 1.00 0.00 N ATOM 443 CA SER A 30 -3.187 9.573 -2.878 1.00 0.00 C ATOM 444 C SER A 30 -3.169 10.315 -4.224 1.00 0.00 C ATOM 445 O SER A 30 -4.089 10.148 -5.020 1.00 0.00 O ATOM 446 CB SER A 30 -4.184 10.131 -1.852 1.00 0.00 C ATOM 447 OG SER A 30 -3.863 11.405 -1.338 1.00 0.00 O ATOM 0 H SER A 30 -1.727 9.957 -1.410 1.00 0.00 H new ATOM 0 HA SER A 30 -3.544 8.575 -3.134 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.169 10.181 -2.316 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.258 9.429 -1.021 1.00 0.00 H new ATOM 0 HG SER A 30 -3.040 11.730 -1.759 1.00 0.00 H new ATOM 453 N ASP A 31 -2.109 11.058 -4.553 1.00 0.00 N ATOM 454 CA ASP A 31 -1.913 11.647 -5.880 1.00 0.00 C ATOM 455 C ASP A 31 -1.803 10.572 -6.971 1.00 0.00 C ATOM 456 O ASP A 31 -2.152 10.837 -8.123 1.00 0.00 O ATOM 457 CB ASP A 31 -0.662 12.538 -5.891 1.00 0.00 C ATOM 458 CG ASP A 31 -0.854 13.788 -6.738 1.00 0.00 C ATOM 459 OD1 ASP A 31 -1.595 14.683 -6.279 1.00 0.00 O ATOM 460 OD2 ASP A 31 -0.170 13.971 -7.770 1.00 0.00 O ATOM 0 H ASP A 31 -1.355 11.270 -3.899 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.790 12.256 -6.099 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.415 12.828 -4.870 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.185 11.968 -6.274 1.00 0.00 H new ATOM 465 N PHE A 32 -1.347 9.366 -6.605 1.00 0.00 N ATOM 466 CA PHE A 32 -1.197 8.202 -7.476 1.00 0.00 C ATOM 467 C PHE A 32 -2.246 7.115 -7.211 1.00 0.00 C ATOM 468 O PHE A 32 -2.619 6.404 -8.141 1.00 0.00 O ATOM 469 CB PHE A 32 0.213 7.607 -7.298 1.00 0.00 C ATOM 470 CG PHE A 32 1.359 8.524 -7.675 1.00 0.00 C ATOM 471 CD1 PHE A 32 1.447 9.034 -8.984 1.00 0.00 C ATOM 472 CD2 PHE A 32 2.369 8.824 -6.739 1.00 0.00 C ATOM 473 CE1 PHE A 32 2.516 9.874 -9.341 1.00 0.00 C ATOM 474 CE2 PHE A 32 3.452 9.630 -7.109 1.00 0.00 C ATOM 475 CZ PHE A 32 3.510 10.182 -8.398 1.00 0.00 C ATOM 0 H PHE A 32 -1.060 9.171 -5.646 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.346 8.547 -8.499 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.335 7.311 -6.256 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.284 6.700 -7.898 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.693 8.780 -9.714 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.307 8.431 -5.735 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.573 10.282 -10.339 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.244 9.827 -6.402 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.320 10.844 -8.665 1.00 0.00 H new ATOM 485 N ILE A 33 -2.673 6.938 -5.958 1.00 0.00 N ATOM 486 CA ILE A 33 -3.419 5.767 -5.499 1.00 0.00 C ATOM 487 C ILE A 33 -4.927 6.013 -5.376 1.00 0.00 C ATOM 488 O ILE A 33 -5.700 5.063 -5.512 1.00 0.00 O ATOM 489 CB ILE A 33 -2.780 5.264 -4.185 1.00 0.00 C ATOM 490 CG1 ILE A 33 -1.291 4.874 -4.348 1.00 0.00 C ATOM 491 CG2 ILE A 33 -3.508 4.064 -3.577 1.00 0.00 C ATOM 492 CD1 ILE A 33 -1.038 3.741 -5.350 1.00 0.00 C ATOM 0 H ILE A 33 -2.505 7.621 -5.219 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.345 4.986 -6.256 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.867 6.119 -3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.730 5.754 -4.664 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.897 4.577 -3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.007 3.762 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.539 4.338 -3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.497 3.235 -4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.031 3.533 -5.402 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.567 2.845 -5.027 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.397 4.039 -6.335 1.00 0.00 H new ATOM 504 N ASP A 34 -5.374 7.251 -5.121 1.00 0.00 N ATOM 505 CA ASP A 34 -6.803 7.556 -5.216 1.00 0.00 C ATOM 506 C ASP A 34 -7.265 7.378 -6.667 1.00 0.00 C ATOM 507 O ASP A 34 -8.316 6.761 -6.850 1.00 0.00 O ATOM 508 CB ASP A 34 -7.198 8.944 -4.675 1.00 0.00 C ATOM 509 CG ASP A 34 -7.443 9.018 -3.161 1.00 0.00 C ATOM 510 OD1 ASP A 34 -7.343 8.003 -2.437 1.00 0.00 O ATOM 511 OD2 ASP A 34 -7.748 10.131 -2.674 1.00 0.00 O ATOM 0 H ASP A 34 -4.782 8.037 -4.854 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.316 6.849 -4.565 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.411 9.653 -4.933 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.102 9.271 -5.188 1.00 0.00 H new ATOM 516 N PRO A 35 -6.539 7.856 -7.707 1.00 0.00 N ATOM 517 CA PRO A 35 -6.879 7.511 -9.082 1.00 0.00 C ATOM 518 C PRO A 35 -6.754 6.010 -9.380 1.00 0.00 C ATOM 519 O PRO A 35 -6.073 5.259 -8.676 1.00 0.00 O ATOM 520 CB PRO A 35 -5.966 8.348 -9.991 1.00 0.00 C ATOM 521 CG PRO A 35 -4.880 8.915 -9.086 1.00 0.00 C ATOM 522 CD PRO A 35 -5.446 8.828 -7.674 1.00 0.00 C ATOM 0 HA PRO A 35 -7.930 7.738 -9.264 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.534 7.735 -10.782 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.526 9.147 -10.477 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.956 8.344 -9.175 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.645 9.945 -9.352 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.675 8.517 -6.969 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.807 9.802 -7.343 1.00 0.00 H new ATOM 530 N GLN A 36 -7.381 5.605 -10.487 1.00 0.00 N ATOM 531 CA GLN A 36 -7.358 4.277 -11.086 1.00 0.00 C ATOM 532 C GLN A 36 -7.633 3.148 -10.083 1.00 0.00 C ATOM 533 O GLN A 36 -7.110 2.039 -10.252 1.00 0.00 O ATOM 534 CB GLN A 36 -6.033 4.072 -11.838 1.00 0.00 C ATOM 535 CG GLN A 36 -5.775 5.077 -12.964 1.00 0.00 C ATOM 536 CD GLN A 36 -4.512 4.696 -13.729 1.00 0.00 C ATOM 537 OE1 GLN A 36 -4.495 3.714 -14.466 1.00 0.00 O ATOM 538 NE2 GLN A 36 -3.397 5.372 -13.488 1.00 0.00 N ATOM 0 H GLN A 36 -7.961 6.249 -11.025 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.182 4.224 -11.797 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.212 4.129 -11.123 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.021 3.066 -12.257 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.627 5.101 -13.643 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.670 6.080 -12.550 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.417 6.187 -12.875 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.519 5.077 -13.916 1.00 0.00 H new ATOM 547 N GLU A 37 -8.443 3.399 -9.049 1.00 0.00 N ATOM 548 CA GLU A 37 -8.747 2.453 -7.972 1.00 0.00 C ATOM 549 C GLU A 37 -7.475 1.821 -7.378 1.00 0.00 C ATOM 550 O GLU A 37 -7.484 0.676 -6.917 1.00 0.00 O ATOM 551 CB GLU A 37 -9.804 1.445 -8.470 1.00 0.00 C ATOM 552 CG GLU A 37 -11.210 2.049 -8.400 1.00 0.00 C ATOM 553 CD GLU A 37 -12.197 1.278 -9.275 1.00 0.00 C ATOM 554 OE1 GLU A 37 -12.283 1.582 -10.487 1.00 0.00 O ATOM 555 OE2 GLU A 37 -12.862 0.333 -8.786 1.00 0.00 O ATOM 0 H GLU A 37 -8.919 4.294 -8.936 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.187 2.980 -7.125 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.580 1.154 -9.496 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.762 0.539 -7.865 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.558 2.044 -7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.176 3.090 -8.720 1.00 0.00 H new ATOM 562 N GLY A 38 -6.364 2.567 -7.371 1.00 0.00 N ATOM 563 CA GLY A 38 -5.078 2.106 -6.863 1.00 0.00 C ATOM 564 C GLY A 38 -5.196 1.585 -5.433 1.00 0.00 C ATOM 565 O GLY A 38 -4.577 0.581 -5.087 1.00 0.00 O ATOM 0 H GLY A 38 -6.339 3.523 -7.725 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.692 1.317 -7.508 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.358 2.924 -6.895 1.00 0.00 H new ATOM 569 N TRP A 39 -6.001 2.241 -4.596 1.00 0.00 N ATOM 570 CA TRP A 39 -6.264 1.830 -3.228 1.00 0.00 C ATOM 571 C TRP A 39 -6.973 0.475 -3.177 1.00 0.00 C ATOM 572 O TRP A 39 -6.565 -0.392 -2.408 1.00 0.00 O ATOM 573 CB TRP A 39 -7.101 2.897 -2.525 1.00 0.00 C ATOM 574 CG TRP A 39 -8.421 3.200 -3.159 1.00 0.00 C ATOM 575 CD1 TRP A 39 -8.653 4.045 -4.189 1.00 0.00 C ATOM 576 CD2 TRP A 39 -9.703 2.599 -2.834 1.00 0.00 C ATOM 577 NE1 TRP A 39 -9.985 3.985 -4.544 1.00 0.00 N ATOM 578 CE2 TRP A 39 -10.677 3.105 -3.737 1.00 0.00 C ATOM 579 CE3 TRP A 39 -10.116 1.607 -1.920 1.00 0.00 C ATOM 580 CZ2 TRP A 39 -11.996 2.641 -3.719 1.00 0.00 C ATOM 581 CZ3 TRP A 39 -11.451 1.170 -1.871 1.00 0.00 C ATOM 582 CH2 TRP A 39 -12.405 1.725 -2.736 1.00 0.00 C ATOM 0 H TRP A 39 -6.497 3.092 -4.863 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.310 1.720 -2.713 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.276 2.578 -1.497 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.520 3.818 -2.479 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.910 4.671 -4.661 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.404 4.521 -5.304 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -9.392 1.175 -1.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -12.700 2.987 -4.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.743 0.406 -1.166 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -13.446 1.450 -2.647 1.00 0.00 H new ATOM 593 N LYS A 40 -8.009 0.252 -4.000 1.00 0.00 N ATOM 594 CA LYS A 40 -8.706 -1.036 -4.073 1.00 0.00 C ATOM 595 C LYS A 40 -7.702 -2.120 -4.397 1.00 0.00 C ATOM 596 O LYS A 40 -7.698 -3.167 -3.756 1.00 0.00 O ATOM 597 CB LYS A 40 -9.826 -1.034 -5.137 1.00 0.00 C ATOM 598 CG LYS A 40 -11.122 -0.422 -4.656 1.00 0.00 C ATOM 599 CD LYS A 40 -12.331 -0.809 -5.513 1.00 0.00 C ATOM 600 CE LYS A 40 -13.385 0.300 -5.514 1.00 0.00 C ATOM 601 NZ LYS A 40 -14.413 0.096 -6.546 1.00 0.00 N ATOM 0 H LYS A 40 -8.385 0.960 -4.631 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.175 -1.221 -3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.480 -0.487 -6.014 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.015 -2.059 -5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.302 -0.732 -3.626 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.023 0.663 -4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.007 -1.008 -6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.770 -1.731 -5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.861 0.346 -4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.897 1.261 -5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.198 0.760 -6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.000 0.263 -7.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.769 -0.880 -6.493 1.00 0.00 H new ATOM 615 N LYS A 41 -6.836 -1.850 -5.372 1.00 0.00 N ATOM 616 CA LYS A 41 -5.840 -2.793 -5.845 1.00 0.00 C ATOM 617 C LYS A 41 -4.886 -3.137 -4.708 1.00 0.00 C ATOM 618 O LYS A 41 -4.637 -4.313 -4.455 1.00 0.00 O ATOM 619 CB LYS A 41 -5.132 -2.188 -7.052 1.00 0.00 C ATOM 620 CG LYS A 41 -5.978 -2.254 -8.324 1.00 0.00 C ATOM 621 CD LYS A 41 -5.512 -1.160 -9.286 1.00 0.00 C ATOM 622 CE LYS A 41 -5.766 -1.524 -10.751 1.00 0.00 C ATOM 623 NZ LYS A 41 -4.580 -2.151 -11.377 1.00 0.00 N ATOM 0 H LYS A 41 -6.811 -0.954 -5.859 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.300 -3.728 -6.165 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.883 -1.148 -6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.191 -2.713 -7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.880 -3.234 -8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.032 -2.120 -8.083 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.028 -0.229 -9.051 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.447 -0.980 -9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.613 -2.207 -10.814 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.038 -0.626 -11.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.792 -2.383 -12.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.778 -1.490 -11.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.335 -3.021 -10.863 1.00 0.00 H new ATOM 637 N LEU A 42 -4.376 -2.122 -4.005 1.00 0.00 N ATOM 638 CA LEU A 42 -3.502 -2.278 -2.856 1.00 0.00 C ATOM 639 C LEU A 42 -4.171 -3.164 -1.805 1.00 0.00 C ATOM 640 O LEU A 42 -3.601 -4.171 -1.393 1.00 0.00 O ATOM 641 CB LEU A 42 -3.177 -0.866 -2.330 1.00 0.00 C ATOM 642 CG LEU A 42 -1.955 -0.708 -1.409 1.00 0.00 C ATOM 643 CD1 LEU A 42 -2.383 -0.363 0.020 1.00 0.00 C ATOM 644 CD2 LEU A 42 -0.940 -1.856 -1.443 1.00 0.00 C ATOM 0 H LEU A 42 -4.569 -1.146 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.570 -2.777 -3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.035 -0.212 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.051 -0.499 -1.792 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.402 0.133 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.499 -0.257 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.940 0.574 0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.015 -1.160 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.122 -1.639 -0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.429 -2.783 -1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.547 -1.964 -2.454 1.00 0.00 H new ATOM 656 N ALA A 43 -5.400 -2.827 -1.418 1.00 0.00 N ATOM 657 CA ALA A 43 -6.177 -3.550 -0.425 1.00 0.00 C ATOM 658 C ALA A 43 -6.299 -5.041 -0.755 1.00 0.00 C ATOM 659 O ALA A 43 -6.035 -5.871 0.112 1.00 0.00 O ATOM 660 CB ALA A 43 -7.557 -2.906 -0.329 1.00 0.00 C ATOM 0 H ALA A 43 -5.893 -2.020 -1.800 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.662 -3.488 0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.155 -3.436 0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.452 -1.863 -0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.051 -2.959 -1.299 1.00 0.00 H new ATOM 666 N VAL A 44 -6.696 -5.407 -1.979 1.00 0.00 N ATOM 667 CA VAL A 44 -6.871 -6.803 -2.348 1.00 0.00 C ATOM 668 C VAL A 44 -5.529 -7.525 -2.555 1.00 0.00 C ATOM 669 O VAL A 44 -5.478 -8.757 -2.482 1.00 0.00 O ATOM 670 CB VAL A 44 -7.795 -6.899 -3.576 1.00 0.00 C ATOM 671 CG1 VAL A 44 -9.189 -6.326 -3.272 1.00 0.00 C ATOM 672 CG2 VAL A 44 -7.237 -6.263 -4.858 1.00 0.00 C ATOM 0 H VAL A 44 -6.901 -4.747 -2.729 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.350 -7.325 -1.520 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.866 -7.968 -3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.818 -6.408 -4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.642 -6.885 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.097 -5.278 -2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.958 -6.381 -5.666 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.053 -5.202 -4.688 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.303 -6.754 -5.131 1.00 0.00 H new ATOM 682 N ALA A 45 -4.434 -6.793 -2.792 1.00 0.00 N ATOM 683 CA ALA A 45 -3.097 -7.377 -2.844 1.00 0.00 C ATOM 684 C ALA A 45 -2.640 -7.792 -1.441 1.00 0.00 C ATOM 685 O ALA A 45 -1.952 -8.800 -1.288 1.00 0.00 O ATOM 686 CB ALA A 45 -2.108 -6.386 -3.472 1.00 0.00 C ATOM 0 H ALA A 45 -4.453 -5.786 -2.952 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.128 -8.270 -3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.115 -6.834 -3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.430 -6.143 -4.485 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.076 -5.476 -2.873 1.00 0.00 H new ATOM 692 N ILE A 46 -3.021 -7.019 -0.423 1.00 0.00 N ATOM 693 CA ILE A 46 -2.612 -7.193 0.963 1.00 0.00 C ATOM 694 C ILE A 46 -3.364 -8.375 1.578 1.00 0.00 C ATOM 695 O ILE A 46 -4.597 -8.380 1.655 1.00 0.00 O ATOM 696 CB ILE A 46 -2.842 -5.866 1.716 1.00 0.00 C ATOM 697 CG1 ILE A 46 -1.811 -4.834 1.256 1.00 0.00 C ATOM 698 CG2 ILE A 46 -2.679 -6.039 3.220 1.00 0.00 C ATOM 699 CD1 ILE A 46 -2.211 -3.406 1.595 1.00 0.00 C ATOM 0 H ILE A 46 -3.648 -6.224 -0.551 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.551 -7.431 1.035 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.859 -5.539 1.498 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.850 -5.057 1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.673 -4.921 0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.848 -5.084 3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.402 -6.770 3.583 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.670 -6.388 3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.441 -2.719 1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.158 -3.168 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.322 -3.306 2.675 1.00 0.00 H new ATOM 711 N LYS A 47 -2.622 -9.382 2.050 1.00 0.00 N ATOM 712 CA LYS A 47 -3.183 -10.548 2.731 1.00 0.00 C ATOM 713 C LYS A 47 -2.563 -10.703 4.123 1.00 0.00 C ATOM 714 O LYS A 47 -1.594 -10.034 4.474 1.00 0.00 O ATOM 715 CB LYS A 47 -3.088 -11.804 1.839 1.00 0.00 C ATOM 716 CG LYS A 47 -4.293 -11.931 0.876 1.00 0.00 C ATOM 717 CD LYS A 47 -4.212 -11.132 -0.430 1.00 0.00 C ATOM 718 CE LYS A 47 -3.244 -11.766 -1.430 1.00 0.00 C ATOM 719 NZ LYS A 47 -3.883 -12.876 -2.160 1.00 0.00 N ATOM 0 H LYS A 47 -1.606 -9.409 1.968 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.250 -10.401 2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.165 -11.767 1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.034 -12.692 2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.419 -12.984 0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.191 -11.621 1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.204 -11.067 -0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.893 -10.113 -0.212 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.902 -11.011 -2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.362 -12.133 -0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.203 -13.287 -2.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.187 -13.606 -1.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.710 -12.519 -2.680 1.00 0.00 H new ATOM 733 N LYS A 48 -3.229 -11.485 4.970 1.00 0.00 N ATOM 734 CA LYS A 48 -2.909 -11.733 6.372 1.00 0.00 C ATOM 735 C LYS A 48 -1.650 -12.597 6.477 1.00 0.00 C ATOM 736 O LYS A 48 -1.272 -13.241 5.492 1.00 0.00 O ATOM 737 CB LYS A 48 -4.111 -12.455 7.013 1.00 0.00 C ATOM 738 CG LYS A 48 -5.227 -11.530 7.535 1.00 0.00 C ATOM 739 CD LYS A 48 -5.167 -11.413 9.057 1.00 0.00 C ATOM 740 CE LYS A 48 -6.038 -10.263 9.563 1.00 0.00 C ATOM 741 NZ LYS A 48 -5.850 -10.059 11.011 1.00 0.00 N ATOM 0 H LYS A 48 -4.061 -11.995 4.674 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.717 -10.794 6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.540 -13.137 6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.749 -13.065 7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.127 -10.542 7.086 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.199 -11.920 7.234 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.498 -12.348 9.509 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.135 -11.255 9.371 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.787 -9.348 9.027 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.086 -10.477 9.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.451 -9.273 11.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.113 -10.927 11.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.853 -9.833 11.203 1.00 0.00 H new ATOM 755 N PRO A 49 -1.065 -12.741 7.680 1.00 0.00 N ATOM 756 CA PRO A 49 0.089 -13.603 7.918 1.00 0.00 C ATOM 757 C PRO A 49 -0.186 -15.092 7.648 1.00 0.00 C ATOM 758 O PRO A 49 0.760 -15.876 7.602 1.00 0.00 O ATOM 759 CB PRO A 49 0.487 -13.379 9.382 1.00 0.00 C ATOM 760 CG PRO A 49 -0.190 -12.069 9.779 1.00 0.00 C ATOM 761 CD PRO A 49 -1.450 -12.088 8.919 1.00 0.00 C ATOM 0 HA PRO A 49 0.888 -13.342 7.224 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.153 -14.203 10.012 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.570 -13.313 9.491 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.423 -12.037 10.843 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.438 -11.204 9.564 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.255 -12.630 9.415 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.814 -11.077 8.733 1.00 0.00 H new ATOM 769 N SER A 50 -1.448 -15.500 7.471 1.00 0.00 N ATOM 770 CA SER A 50 -1.829 -16.877 7.149 1.00 0.00 C ATOM 771 C SER A 50 -2.374 -17.009 5.714 1.00 0.00 C ATOM 772 O SER A 50 -2.729 -18.110 5.297 1.00 0.00 O ATOM 773 CB SER A 50 -2.810 -17.410 8.202 1.00 0.00 C ATOM 774 OG SER A 50 -2.405 -17.052 9.517 1.00 0.00 O ATOM 0 H SER A 50 -2.246 -14.870 7.549 1.00 0.00 H new ATOM 0 HA SER A 50 -0.933 -17.497 7.180 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.807 -17.014 8.006 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.877 -18.495 8.123 1.00 0.00 H new ATOM 0 HG SER A 50 -3.050 -17.404 10.165 1.00 0.00 H new ATOM 780 N GLY A 51 -2.400 -15.918 4.937 1.00 0.00 N ATOM 781 CA GLY A 51 -2.758 -15.895 3.518 1.00 0.00 C ATOM 782 C GLY A 51 -4.161 -15.348 3.253 1.00 0.00 C ATOM 783 O GLY A 51 -4.501 -15.106 2.097 1.00 0.00 O ATOM 0 H GLY A 51 -2.163 -14.993 5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.032 -15.288 2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.689 -16.906 3.117 1.00 0.00 H new ATOM 787 N ASP A 52 -4.939 -15.135 4.309 1.00 0.00 N ATOM 788 CA ASP A 52 -6.326 -14.664 4.364 1.00 0.00 C ATOM 789 C ASP A 52 -6.454 -13.256 3.758 1.00 0.00 C ATOM 790 O ASP A 52 -5.495 -12.488 3.791 1.00 0.00 O ATOM 791 CB ASP A 52 -6.816 -14.611 5.838 1.00 0.00 C ATOM 792 CG ASP A 52 -6.059 -15.455 6.873 1.00 0.00 C ATOM 793 OD1 ASP A 52 -5.585 -16.564 6.550 1.00 0.00 O ATOM 794 OD2 ASP A 52 -5.871 -14.987 8.020 1.00 0.00 O ATOM 0 H ASP A 52 -4.579 -15.305 5.248 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.935 -15.362 3.789 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.784 -13.572 6.165 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.862 -14.918 5.855 1.00 0.00 H new ATOM 799 N ASP A 53 -7.639 -12.852 3.293 1.00 0.00 N ATOM 800 CA ASP A 53 -7.923 -11.468 2.872 1.00 0.00 C ATOM 801 C ASP A 53 -7.734 -10.524 4.060 1.00 0.00 C ATOM 802 O ASP A 53 -8.334 -10.759 5.106 1.00 0.00 O ATOM 803 CB ASP A 53 -9.382 -11.322 2.401 1.00 0.00 C ATOM 804 CG ASP A 53 -9.556 -11.410 0.891 1.00 0.00 C ATOM 805 OD1 ASP A 53 -9.107 -10.487 0.175 1.00 0.00 O ATOM 806 OD2 ASP A 53 -10.225 -12.356 0.423 1.00 0.00 O ATOM 0 H ASP A 53 -8.438 -13.478 3.195 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.243 -11.224 2.056 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.985 -12.099 2.872 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.770 -10.364 2.746 1.00 0.00 H new ATOM 811 N ARG A 54 -6.972 -9.429 3.941 1.00 0.00 N ATOM 812 CA ARG A 54 -7.061 -8.349 4.936 1.00 0.00 C ATOM 813 C ARG A 54 -8.322 -7.502 4.758 1.00 0.00 C ATOM 814 O ARG A 54 -8.850 -7.005 5.753 1.00 0.00 O ATOM 815 CB ARG A 54 -5.824 -7.440 4.897 1.00 0.00 C ATOM 816 CG ARG A 54 -4.534 -8.198 5.233 1.00 0.00 C ATOM 817 CD ARG A 54 -3.459 -7.387 5.976 1.00 0.00 C ATOM 818 NE ARG A 54 -3.384 -7.733 7.399 1.00 0.00 N ATOM 819 CZ ARG A 54 -2.347 -8.264 8.057 1.00 0.00 C ATOM 820 NH1 ARG A 54 -1.230 -8.584 7.416 1.00 0.00 N ATOM 821 NH2 ARG A 54 -2.456 -8.491 9.361 1.00 0.00 N ATOM 0 H ARG A 54 -6.304 -9.267 3.188 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.110 -8.838 5.909 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.734 -6.995 3.906 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.956 -6.620 5.603 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.792 -9.066 5.839 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.103 -8.574 4.305 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.489 -7.562 5.510 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.675 -6.323 5.874 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.221 -7.547 7.952 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.155 -8.426 6.411 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.446 -8.988 7.928 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.322 -8.261 9.848 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.674 -8.895 9.875 1.00 0.00 H new ATOM 835 N TYR A 55 -8.802 -7.272 3.531 1.00 0.00 N ATOM 836 CA TYR A 55 -9.866 -6.299 3.274 1.00 0.00 C ATOM 837 C TYR A 55 -10.820 -6.854 2.218 1.00 0.00 C ATOM 838 O TYR A 55 -10.669 -6.589 1.021 1.00 0.00 O ATOM 839 CB TYR A 55 -9.282 -4.937 2.847 1.00 0.00 C ATOM 840 CG TYR A 55 -8.181 -4.380 3.731 1.00 0.00 C ATOM 841 CD1 TYR A 55 -8.478 -3.710 4.936 1.00 0.00 C ATOM 842 CD2 TYR A 55 -6.841 -4.544 3.335 1.00 0.00 C ATOM 843 CE1 TYR A 55 -7.435 -3.220 5.747 1.00 0.00 C ATOM 844 CE2 TYR A 55 -5.797 -4.066 4.139 1.00 0.00 C ATOM 845 CZ TYR A 55 -6.090 -3.408 5.351 1.00 0.00 C ATOM 846 OH TYR A 55 -5.074 -2.965 6.133 1.00 0.00 O ATOM 0 H TYR A 55 -8.466 -7.751 2.695 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.424 -6.131 4.195 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.894 -5.032 1.833 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.094 -4.211 2.811 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.506 -3.572 5.237 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.615 -5.042 2.404 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.662 -2.703 6.668 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.771 -4.201 3.831 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.217 -3.221 5.732 1.00 0.00 H new ATOM 856 N ASN A 56 -11.820 -7.625 2.651 1.00 0.00 N ATOM 857 CA ASN A 56 -12.867 -8.073 1.736 1.00 0.00 C ATOM 858 C ASN A 56 -13.745 -6.898 1.302 1.00 0.00 C ATOM 859 O ASN A 56 -13.607 -5.779 1.816 1.00 0.00 O ATOM 860 CB ASN A 56 -13.746 -9.154 2.380 1.00 0.00 C ATOM 861 CG ASN A 56 -13.961 -10.364 1.474 1.00 0.00 C ATOM 862 OD1 ASN A 56 -13.253 -10.572 0.499 1.00 0.00 O ATOM 863 ND2 ASN A 56 -14.992 -11.148 1.726 1.00 0.00 N ATOM 0 H ASN A 56 -11.925 -7.947 3.613 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.374 -8.498 0.862 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.285 -9.482 3.312 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.713 -8.723 2.637 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -15.201 -11.931 1.106 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -15.580 -10.971 2.540 1.00 0.00 H new ATOM 870 N GLN A 57 -14.721 -7.150 0.420 1.00 0.00 N ATOM 871 CA GLN A 57 -15.546 -6.075 -0.115 1.00 0.00 C ATOM 872 C GLN A 57 -16.371 -5.349 0.956 1.00 0.00 C ATOM 873 O GLN A 57 -16.707 -4.179 0.783 1.00 0.00 O ATOM 874 CB GLN A 57 -16.448 -6.563 -1.256 1.00 0.00 C ATOM 875 CG GLN A 57 -15.668 -7.023 -2.500 1.00 0.00 C ATOM 876 CD GLN A 57 -15.006 -5.877 -3.269 1.00 0.00 C ATOM 877 OE1 GLN A 57 -15.674 -5.044 -3.879 1.00 0.00 O ATOM 878 NE2 GLN A 57 -13.688 -5.836 -3.321 1.00 0.00 N ATOM 0 H GLN A 57 -14.952 -8.079 0.069 1.00 0.00 H new ATOM 0 HA GLN A 57 -14.845 -5.344 -0.518 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.062 -7.389 -0.896 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.128 -5.760 -1.540 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -14.901 -7.735 -2.195 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -16.347 -7.553 -3.168 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.136 -6.528 -2.814 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.221 -5.112 -3.868 1.00 0.00 H new ATOM 887 N PHE A 58 -16.625 -5.998 2.096 1.00 0.00 N ATOM 888 CA PHE A 58 -17.251 -5.407 3.277 1.00 0.00 C ATOM 889 C PHE A 58 -16.503 -4.162 3.783 1.00 0.00 C ATOM 890 O PHE A 58 -17.101 -3.282 4.407 1.00 0.00 O ATOM 891 CB PHE A 58 -17.293 -6.489 4.361 1.00 0.00 C ATOM 892 CG PHE A 58 -18.063 -6.108 5.613 1.00 0.00 C ATOM 893 CD1 PHE A 58 -19.461 -5.957 5.559 1.00 0.00 C ATOM 894 CD2 PHE A 58 -17.390 -5.912 6.836 1.00 0.00 C ATOM 895 CE1 PHE A 58 -20.183 -5.598 6.709 1.00 0.00 C ATOM 896 CE2 PHE A 58 -18.116 -5.573 7.992 1.00 0.00 C ATOM 897 CZ PHE A 58 -19.511 -5.406 7.927 1.00 0.00 C ATOM 0 H PHE A 58 -16.392 -6.983 2.224 1.00 0.00 H new ATOM 0 HA PHE A 58 -18.254 -5.067 3.019 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -17.738 -7.390 3.938 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.271 -6.741 4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -19.982 -6.118 4.627 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -16.317 -6.022 6.885 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -21.254 -5.470 6.657 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -17.601 -5.441 8.932 1.00 0.00 H new ATOM 0 HZ PHE A 58 -20.065 -5.131 8.812 1.00 0.00 H new ATOM 907 N HIS A 59 -15.196 -4.075 3.527 1.00 0.00 N ATOM 908 CA HIS A 59 -14.398 -2.892 3.800 1.00 0.00 C ATOM 909 C HIS A 59 -14.249 -2.023 2.556 1.00 0.00 C ATOM 910 O HIS A 59 -14.326 -0.807 2.670 1.00 0.00 O ATOM 911 CB HIS A 59 -13.046 -3.317 4.365 1.00 0.00 C ATOM 912 CG HIS A 59 -13.183 -3.980 5.711 1.00 0.00 C ATOM 913 ND1 HIS A 59 -12.711 -5.225 6.052 1.00 0.00 N ATOM 914 CD2 HIS A 59 -13.806 -3.456 6.815 1.00 0.00 C ATOM 915 CE1 HIS A 59 -13.019 -5.439 7.338 1.00 0.00 C ATOM 916 NE2 HIS A 59 -13.681 -4.387 7.850 1.00 0.00 N ATOM 0 H HIS A 59 -14.660 -4.840 3.118 1.00 0.00 H new ATOM 0 HA HIS A 59 -14.908 -2.279 4.543 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.562 -4.003 3.670 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.399 -2.444 4.454 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.303 -2.499 6.874 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.770 -6.334 7.888 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -14.024 -4.288 8.805 1.00 0.00 H new ATOM 924 N ILE A 60 -14.088 -2.593 1.358 1.00 0.00 N ATOM 925 CA ILE A 60 -14.001 -1.799 0.125 1.00 0.00 C ATOM 926 C ILE A 60 -15.188 -0.840 0.016 1.00 0.00 C ATOM 927 O ILE A 60 -15.004 0.333 -0.291 1.00 0.00 O ATOM 928 CB ILE A 60 -13.848 -2.718 -1.100 1.00 0.00 C ATOM 929 CG1 ILE A 60 -12.553 -3.554 -0.997 1.00 0.00 C ATOM 930 CG2 ILE A 60 -13.901 -1.968 -2.438 1.00 0.00 C ATOM 931 CD1 ILE A 60 -11.250 -2.764 -0.841 1.00 0.00 C ATOM 0 H ILE A 60 -14.015 -3.600 1.214 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.106 -1.178 0.159 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.710 -3.385 -1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.648 -4.230 -0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.473 -4.174 -1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.787 -2.677 -3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.859 -1.457 -2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -13.094 -1.236 -2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.410 -3.456 -0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.117 -2.108 -1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.294 -2.165 0.069 1.00 0.00 H new ATOM 943 N ARG A 61 -16.388 -1.303 0.348 1.00 0.00 N ATOM 944 CA ARG A 61 -17.589 -0.475 0.363 1.00 0.00 C ATOM 945 C ARG A 61 -17.524 0.707 1.334 1.00 0.00 C ATOM 946 O ARG A 61 -18.052 1.769 1.010 1.00 0.00 O ATOM 947 CB ARG A 61 -18.774 -1.360 0.721 1.00 0.00 C ATOM 948 CG ARG A 61 -19.188 -2.254 -0.454 1.00 0.00 C ATOM 949 CD ARG A 61 -19.911 -1.462 -1.556 1.00 0.00 C ATOM 950 NE ARG A 61 -21.195 -2.073 -1.940 1.00 0.00 N ATOM 951 CZ ARG A 61 -21.363 -2.984 -2.902 1.00 0.00 C ATOM 952 NH1 ARG A 61 -20.326 -3.475 -3.570 1.00 0.00 N ATOM 953 NH2 ARG A 61 -22.581 -3.431 -3.179 1.00 0.00 N ATOM 0 H ARG A 61 -16.556 -2.272 0.617 1.00 0.00 H new ATOM 0 HA ARG A 61 -17.690 -0.039 -0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -18.518 -1.982 1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -19.617 -0.737 1.019 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.304 -2.733 -0.873 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -19.840 -3.049 -0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -20.086 -0.443 -1.211 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -19.267 -1.396 -2.433 1.00 0.00 H new ATOM 0 HE ARG A 61 -22.026 -1.775 -1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -19.382 -3.157 -3.352 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -20.474 -4.170 -4.302 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -23.384 -3.079 -2.658 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -22.714 -4.127 -3.913 1.00 0.00 H new ATOM 967 N ARG A 62 -16.920 0.556 2.520 1.00 0.00 N ATOM 968 CA ARG A 62 -16.650 1.668 3.417 1.00 0.00 C ATOM 969 C ARG A 62 -15.796 2.690 2.675 1.00 0.00 C ATOM 970 O ARG A 62 -16.168 3.859 2.613 1.00 0.00 O ATOM 971 CB ARG A 62 -15.898 1.173 4.663 1.00 0.00 C ATOM 972 CG ARG A 62 -16.688 0.343 5.686 1.00 0.00 C ATOM 973 CD ARG A 62 -17.178 1.241 6.830 1.00 0.00 C ATOM 974 NE ARG A 62 -17.350 0.529 8.108 1.00 0.00 N ATOM 975 CZ ARG A 62 -16.371 0.179 8.958 1.00 0.00 C ATOM 976 NH1 ARG A 62 -15.084 0.235 8.624 1.00 0.00 N ATOM 977 NH2 ARG A 62 -16.673 -0.240 10.176 1.00 0.00 N ATOM 0 H ARG A 62 -16.607 -0.347 2.878 1.00 0.00 H new ATOM 0 HA ARG A 62 -17.589 2.121 3.736 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.050 0.576 4.329 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.492 2.043 5.178 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -17.538 -0.135 5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -16.059 -0.454 6.083 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -16.468 2.056 6.971 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -18.128 1.692 6.545 1.00 0.00 H new ATOM 0 HE ARG A 62 -18.303 0.278 8.372 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.812 0.553 7.694 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.370 -0.040 9.298 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -17.649 -0.297 10.468 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -15.930 -0.506 10.823 1.00 0.00 H new ATOM 991 N PHE A 63 -14.668 2.249 2.107 1.00 0.00 N ATOM 992 CA PHE A 63 -13.712 3.122 1.439 1.00 0.00 C ATOM 993 C PHE A 63 -14.332 3.822 0.216 1.00 0.00 C ATOM 994 O PHE A 63 -14.106 5.014 0.019 1.00 0.00 O ATOM 995 CB PHE A 63 -12.461 2.317 1.071 1.00 0.00 C ATOM 996 CG PHE A 63 -11.637 1.783 2.236 1.00 0.00 C ATOM 997 CD1 PHE A 63 -10.901 2.656 3.059 1.00 0.00 C ATOM 998 CD2 PHE A 63 -11.537 0.396 2.456 1.00 0.00 C ATOM 999 CE1 PHE A 63 -10.088 2.138 4.083 1.00 0.00 C ATOM 1000 CE2 PHE A 63 -10.708 -0.121 3.467 1.00 0.00 C ATOM 1001 CZ PHE A 63 -9.975 0.754 4.281 1.00 0.00 C ATOM 0 H PHE A 63 -14.396 1.266 2.101 1.00 0.00 H new ATOM 0 HA PHE A 63 -13.423 3.919 2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -12.767 1.473 0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.817 2.946 0.456 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.961 3.723 2.904 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -12.107 -0.282 1.838 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.544 2.815 4.725 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.636 -1.188 3.616 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.329 0.366 5.054 1.00 0.00 H new ATOM 1011 N GLU A 64 -15.163 3.125 -0.563 1.00 0.00 N ATOM 1012 CA GLU A 64 -15.978 3.681 -1.644 1.00 0.00 C ATOM 1013 C GLU A 64 -16.773 4.884 -1.128 1.00 0.00 C ATOM 1014 O GLU A 64 -16.693 5.974 -1.685 1.00 0.00 O ATOM 1015 CB GLU A 64 -16.936 2.618 -2.214 1.00 0.00 C ATOM 1016 CG GLU A 64 -16.314 1.601 -3.183 1.00 0.00 C ATOM 1017 CD GLU A 64 -17.309 0.530 -3.667 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -18.537 0.705 -3.476 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -16.840 -0.519 -4.183 1.00 0.00 O ATOM 0 H GLU A 64 -15.291 2.119 -0.453 1.00 0.00 H new ATOM 0 HA GLU A 64 -15.314 4.004 -2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.379 2.072 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.750 3.129 -2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.914 2.131 -4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.473 1.110 -2.693 1.00 0.00 H new ATOM 1026 N ALA A 65 -17.517 4.730 -0.033 1.00 0.00 N ATOM 1027 CA ALA A 65 -18.326 5.818 0.501 1.00 0.00 C ATOM 1028 C ALA A 65 -17.493 7.042 0.937 1.00 0.00 C ATOM 1029 O ALA A 65 -18.050 8.142 1.006 1.00 0.00 O ATOM 1030 CB ALA A 65 -19.167 5.271 1.654 1.00 0.00 C ATOM 0 H ALA A 65 -17.574 3.862 0.499 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.973 6.188 -0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.781 6.071 2.068 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.811 4.472 1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.509 4.879 2.430 1.00 0.00 H new ATOM 1036 N LEU A 66 -16.188 6.889 1.212 1.00 0.00 N ATOM 1037 CA LEU A 66 -15.286 8.021 1.431 1.00 0.00 C ATOM 1038 C LEU A 66 -15.067 8.743 0.106 1.00 0.00 C ATOM 1039 O LEU A 66 -15.367 9.931 -0.009 1.00 0.00 O ATOM 1040 CB LEU A 66 -13.915 7.595 1.984 1.00 0.00 C ATOM 1041 CG LEU A 66 -13.959 6.687 3.216 1.00 0.00 C ATOM 1042 CD1 LEU A 66 -12.548 6.160 3.454 1.00 0.00 C ATOM 1043 CD2 LEU A 66 -14.483 7.418 4.457 1.00 0.00 C ATOM 0 H LEU A 66 -15.734 5.979 1.288 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.756 8.669 2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.367 7.081 1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.348 8.492 2.234 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.653 5.866 3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.546 5.508 4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.217 5.598 2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.871 6.997 3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.496 6.733 5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.833 8.263 4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.494 7.779 4.267 1.00 0.00 H new ATOM 1055 N LEU A 67 -14.566 8.021 -0.902 1.00 0.00 N ATOM 1056 CA LEU A 67 -14.147 8.584 -2.184 1.00 0.00 C ATOM 1057 C LEU A 67 -15.314 9.261 -2.885 1.00 0.00 C ATOM 1058 O LEU A 67 -15.150 10.332 -3.466 1.00 0.00 O ATOM 1059 CB LEU A 67 -13.467 7.498 -3.038 1.00 0.00 C ATOM 1060 CG LEU A 67 -14.327 6.640 -3.990 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -14.610 7.267 -5.357 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -13.608 5.322 -4.244 1.00 0.00 C ATOM 0 H LEU A 67 -14.439 7.010 -0.846 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.405 9.365 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -12.700 7.986 -3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.954 6.819 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.287 6.526 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.221 6.586 -5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.143 8.208 -5.222 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -13.669 7.454 -5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.205 4.705 -4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.637 5.519 -4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.466 4.797 -3.299 1.00 0.00 H new ATOM 1074 N GLN A 68 -16.502 8.668 -2.772 1.00 0.00 N ATOM 1075 CA GLN A 68 -17.734 9.187 -3.331 1.00 0.00 C ATOM 1076 C GLN A 68 -18.138 10.529 -2.716 1.00 0.00 C ATOM 1077 O GLN A 68 -19.004 11.197 -3.278 1.00 0.00 O ATOM 1078 CB GLN A 68 -18.840 8.154 -3.105 1.00 0.00 C ATOM 1079 CG GLN A 68 -18.708 6.920 -4.006 1.00 0.00 C ATOM 1080 CD GLN A 68 -19.824 5.919 -3.711 1.00 0.00 C ATOM 1081 OE1 GLN A 68 -20.951 6.303 -3.392 1.00 0.00 O ATOM 1082 NE2 GLN A 68 -19.557 4.634 -3.841 1.00 0.00 N ATOM 0 H GLN A 68 -16.630 7.788 -2.273 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.579 9.365 -4.395 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.825 7.838 -2.062 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.808 8.623 -3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -18.749 7.221 -5.053 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.738 6.449 -3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -18.619 4.332 -4.106 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -20.288 3.942 -3.677 1.00 0.00 H new ATOM 1091 N THR A 69 -17.558 10.937 -1.584 1.00 0.00 N ATOM 1092 CA THR A 69 -17.814 12.238 -0.976 1.00 0.00 C ATOM 1093 C THR A 69 -16.581 13.148 -1.075 1.00 0.00 C ATOM 1094 O THR A 69 -16.747 14.369 -1.115 1.00 0.00 O ATOM 1095 CB THR A 69 -18.343 12.066 0.459 1.00 0.00 C ATOM 1096 OG1 THR A 69 -17.422 11.397 1.304 1.00 0.00 O ATOM 1097 CG2 THR A 69 -19.664 11.298 0.508 1.00 0.00 C ATOM 0 H THR A 69 -16.893 10.366 -1.062 1.00 0.00 H new ATOM 0 HA THR A 69 -18.600 12.747 -1.534 1.00 0.00 H new ATOM 0 HB THR A 69 -18.496 13.084 0.818 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.715 10.991 0.761 1.00 0.00 H new ATOM 0 HG21 THR A 69 -19.993 11.205 1.543 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.419 11.836 -0.065 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.524 10.305 0.081 1.00 0.00 H new ATOM 1105 N GLY A 70 -15.372 12.583 -1.186 1.00 0.00 N ATOM 1106 CA GLY A 70 -14.122 13.288 -1.458 1.00 0.00 C ATOM 1107 C GLY A 70 -12.980 12.916 -0.509 1.00 0.00 C ATOM 1108 O GLY A 70 -11.828 13.233 -0.805 1.00 0.00 O ATOM 0 H GLY A 70 -15.237 11.577 -1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.813 13.078 -2.482 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.300 14.361 -1.393 1.00 0.00 H new ATOM 1112 N LYS A 71 -13.264 12.265 0.624 1.00 0.00 N ATOM 1113 CA LYS A 71 -12.241 11.788 1.557 1.00 0.00 C ATOM 1114 C LYS A 71 -11.419 10.690 0.882 1.00 0.00 C ATOM 1115 O LYS A 71 -11.996 9.834 0.213 1.00 0.00 O ATOM 1116 CB LYS A 71 -12.900 11.316 2.868 1.00 0.00 C ATOM 1117 CG LYS A 71 -12.892 12.455 3.901 1.00 0.00 C ATOM 1118 CD LYS A 71 -13.802 12.213 5.116 1.00 0.00 C ATOM 1119 CE LYS A 71 -15.231 12.682 4.816 1.00 0.00 C ATOM 1120 NZ LYS A 71 -16.053 12.838 6.034 1.00 0.00 N ATOM 0 H LYS A 71 -14.217 12.054 0.920 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.560 12.597 1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.924 10.996 2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.365 10.452 3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.871 12.605 4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.200 13.378 3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.806 11.153 5.370 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.412 12.747 5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.192 13.634 4.286 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.711 11.965 4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.007 13.156 5.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.117 11.926 6.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.614 13.542 6.661 1.00 0.00 H new ATOM 1134 N SER A 72 -10.096 10.701 1.054 1.00 0.00 N ATOM 1135 CA SER A 72 -9.203 9.759 0.394 1.00 0.00 C ATOM 1136 C SER A 72 -9.354 8.360 0.993 1.00 0.00 C ATOM 1137 O SER A 72 -8.989 8.156 2.157 1.00 0.00 O ATOM 1138 CB SER A 72 -7.742 10.201 0.526 1.00 0.00 C ATOM 1139 OG SER A 72 -7.450 11.237 -0.381 1.00 0.00 O ATOM 0 H SER A 72 -9.616 11.368 1.658 1.00 0.00 H new ATOM 0 HA SER A 72 -9.477 9.736 -0.661 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.550 10.538 1.545 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.083 9.353 0.341 1.00 0.00 H new ATOM 0 HG SER A 72 -7.873 11.045 -1.244 1.00 0.00 H new ATOM 1145 N PRO A 73 -9.800 7.364 0.209 1.00 0.00 N ATOM 1146 CA PRO A 73 -9.698 5.973 0.609 1.00 0.00 C ATOM 1147 C PRO A 73 -8.233 5.552 0.719 1.00 0.00 C ATOM 1148 O PRO A 73 -7.945 4.763 1.611 1.00 0.00 O ATOM 1149 CB PRO A 73 -10.435 5.189 -0.478 1.00 0.00 C ATOM 1150 CG PRO A 73 -10.219 6.053 -1.718 1.00 0.00 C ATOM 1151 CD PRO A 73 -10.315 7.459 -1.151 1.00 0.00 C ATOM 0 HA PRO A 73 -10.134 5.790 1.591 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.023 4.188 -0.605 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.493 5.071 -0.246 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.250 5.866 -2.181 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.977 5.869 -2.480 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.731 8.162 -1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.345 7.816 -1.157 1.00 0.00 H new ATOM 1159 N THR A 74 -7.305 6.095 -0.088 1.00 0.00 N ATOM 1160 CA THR A 74 -5.880 5.836 0.091 1.00 0.00 C ATOM 1161 C THR A 74 -5.466 6.161 1.518 1.00 0.00 C ATOM 1162 O THR A 74 -4.778 5.351 2.132 1.00 0.00 O ATOM 1163 CB THR A 74 -5.054 6.695 -0.876 1.00 0.00 C ATOM 1164 OG1 THR A 74 -5.375 6.396 -2.203 1.00 0.00 O ATOM 1165 CG2 THR A 74 -3.539 6.545 -0.694 1.00 0.00 C ATOM 0 H THR A 74 -7.524 6.715 -0.868 1.00 0.00 H new ATOM 0 HA THR A 74 -5.696 4.782 -0.115 1.00 0.00 H new ATOM 0 HB THR A 74 -5.315 7.726 -0.639 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.890 7.135 -2.589 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.022 7.182 -1.412 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.263 6.840 0.318 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.254 5.506 -0.859 1.00 0.00 H new ATOM 1173 N CYS A 75 -5.834 7.349 2.019 1.00 0.00 N ATOM 1174 CA CYS A 75 -5.387 7.783 3.329 1.00 0.00 C ATOM 1175 C CYS A 75 -5.898 6.814 4.379 1.00 0.00 C ATOM 1176 O CYS A 75 -5.091 6.294 5.137 1.00 0.00 O ATOM 1177 CB CYS A 75 -5.865 9.207 3.634 1.00 0.00 C ATOM 1178 SG CYS A 75 -5.234 9.697 5.264 1.00 0.00 S ATOM 0 H CYS A 75 -6.435 8.014 1.533 1.00 0.00 H new ATOM 0 HA CYS A 75 -4.297 7.793 3.343 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -5.510 9.897 2.868 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -6.954 9.251 3.622 1.00 0.00 H new ATOM 0 HG CYS A 75 -5.629 10.905 5.537 1.00 0.00 H new ATOM 1184 N GLU A 76 -7.211 6.597 4.437 1.00 0.00 N ATOM 1185 CA GLU A 76 -7.801 5.742 5.457 1.00 0.00 C ATOM 1186 C GLU A 76 -7.208 4.340 5.386 1.00 0.00 C ATOM 1187 O GLU A 76 -6.835 3.781 6.415 1.00 0.00 O ATOM 1188 CB GLU A 76 -9.326 5.687 5.262 1.00 0.00 C ATOM 1189 CG GLU A 76 -10.083 6.811 5.967 1.00 0.00 C ATOM 1190 CD GLU A 76 -9.726 6.972 7.447 1.00 0.00 C ATOM 1191 OE1 GLU A 76 -10.343 6.306 8.315 1.00 0.00 O ATOM 1192 OE2 GLU A 76 -8.865 7.833 7.732 1.00 0.00 O ATOM 0 H GLU A 76 -7.884 7.003 3.787 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.579 6.157 6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.547 5.727 4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.695 4.729 5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.881 7.750 5.451 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.153 6.624 5.881 1.00 0.00 H new ATOM 1199 N LEU A 77 -7.105 3.787 4.176 1.00 0.00 N ATOM 1200 CA LEU A 77 -6.569 2.455 3.951 1.00 0.00 C ATOM 1201 C LEU A 77 -5.137 2.370 4.465 1.00 0.00 C ATOM 1202 O LEU A 77 -4.794 1.438 5.188 1.00 0.00 O ATOM 1203 CB LEU A 77 -6.634 2.125 2.454 1.00 0.00 C ATOM 1204 CG LEU A 77 -6.006 0.770 2.098 1.00 0.00 C ATOM 1205 CD1 LEU A 77 -6.729 -0.412 2.745 1.00 0.00 C ATOM 1206 CD2 LEU A 77 -5.966 0.593 0.588 1.00 0.00 C ATOM 0 H LEU A 77 -7.396 4.261 3.321 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.166 1.725 4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.676 2.129 2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.126 2.910 1.894 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.992 0.778 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.238 -1.341 2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.698 -0.308 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.767 -0.431 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.519 -0.371 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.980 0.633 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.371 1.391 0.144 1.00 0.00 H new ATOM 1218 N LEU A 78 -4.285 3.312 4.056 1.00 0.00 N ATOM 1219 CA LEU A 78 -2.880 3.313 4.422 1.00 0.00 C ATOM 1220 C LEU A 78 -2.719 3.516 5.930 1.00 0.00 C ATOM 1221 O LEU A 78 -1.833 2.923 6.543 1.00 0.00 O ATOM 1222 CB LEU A 78 -2.129 4.436 3.680 1.00 0.00 C ATOM 1223 CG LEU A 78 -1.771 4.115 2.218 1.00 0.00 C ATOM 1224 CD1 LEU A 78 -0.996 5.281 1.600 1.00 0.00 C ATOM 1225 CD2 LEU A 78 -0.962 2.820 2.058 1.00 0.00 C ATOM 0 H LEU A 78 -4.557 4.094 3.461 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.459 2.348 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.741 5.338 3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.211 4.661 4.223 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.716 3.965 1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.747 5.045 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.609 6.182 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.079 5.448 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.744 2.655 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.027 2.904 2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.539 1.980 2.445 1.00 0.00 H new ATOM 1237 N PHE A 79 -3.539 4.387 6.514 1.00 0.00 N ATOM 1238 CA PHE A 79 -3.488 4.773 7.914 1.00 0.00 C ATOM 1239 C PHE A 79 -3.886 3.601 8.807 1.00 0.00 C ATOM 1240 O PHE A 79 -3.169 3.287 9.760 1.00 0.00 O ATOM 1241 CB PHE A 79 -4.415 5.977 8.134 1.00 0.00 C ATOM 1242 CG PHE A 79 -4.464 6.467 9.566 1.00 0.00 C ATOM 1243 CD1 PHE A 79 -3.320 7.046 10.144 1.00 0.00 C ATOM 1244 CD2 PHE A 79 -5.646 6.338 10.321 1.00 0.00 C ATOM 1245 CE1 PHE A 79 -3.356 7.491 11.475 1.00 0.00 C ATOM 1246 CE2 PHE A 79 -5.686 6.795 11.650 1.00 0.00 C ATOM 1247 CZ PHE A 79 -4.543 7.380 12.222 1.00 0.00 C ATOM 0 H PHE A 79 -4.284 4.859 6.002 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.469 5.055 8.180 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.088 6.795 7.492 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.423 5.708 7.819 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.414 7.148 9.564 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.522 5.888 9.879 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.472 7.919 11.926 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.592 6.697 12.230 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.576 7.745 13.238 1.00 0.00 H new ATOM 1257 N ASP A 80 -5.010 2.948 8.501 1.00 0.00 N ATOM 1258 CA ASP A 80 -5.521 1.833 9.290 1.00 0.00 C ATOM 1259 C ASP A 80 -4.699 0.563 9.052 1.00 0.00 C ATOM 1260 O ASP A 80 -4.524 -0.260 9.951 1.00 0.00 O ATOM 1261 CB ASP A 80 -6.993 1.597 8.961 1.00 0.00 C ATOM 1262 CG ASP A 80 -7.605 0.598 9.943 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -7.730 0.920 11.152 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -8.007 -0.499 9.495 1.00 0.00 O ATOM 0 H ASP A 80 -5.591 3.181 7.695 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.432 2.087 10.346 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.538 2.540 9.005 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.089 1.221 7.943 1.00 0.00 H new ATOM 1269 N TRP A 81 -4.096 0.407 7.873 1.00 0.00 N ATOM 1270 CA TRP A 81 -3.073 -0.613 7.657 1.00 0.00 C ATOM 1271 C TRP A 81 -1.808 -0.269 8.450 1.00 0.00 C ATOM 1272 O TRP A 81 -1.118 -1.138 8.984 1.00 0.00 O ATOM 1273 CB TRP A 81 -2.786 -0.698 6.167 1.00 0.00 C ATOM 1274 CG TRP A 81 -1.929 -1.831 5.711 1.00 0.00 C ATOM 1275 CD1 TRP A 81 -1.883 -3.092 6.203 1.00 0.00 C ATOM 1276 CD2 TRP A 81 -0.952 -1.792 4.643 1.00 0.00 C ATOM 1277 NE1 TRP A 81 -0.934 -3.820 5.513 1.00 0.00 N ATOM 1278 CE2 TRP A 81 -0.298 -3.052 4.565 1.00 0.00 C ATOM 1279 CE3 TRP A 81 -0.572 -0.797 3.729 1.00 0.00 C ATOM 1280 CZ2 TRP A 81 0.743 -3.292 3.662 1.00 0.00 C ATOM 1281 CZ3 TRP A 81 0.465 -1.028 2.815 1.00 0.00 C ATOM 1282 CH2 TRP A 81 1.137 -2.261 2.796 1.00 0.00 C ATOM 0 H TRP A 81 -4.300 0.976 7.052 1.00 0.00 H new ATOM 0 HA TRP A 81 -3.424 -1.583 8.009 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.738 -0.759 5.640 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.311 0.233 5.859 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.494 -3.470 7.010 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -0.730 -4.805 5.685 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -1.083 0.155 3.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 1.234 -4.253 3.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 0.750 -0.252 2.120 1.00 0.00 H new ATOM 0 HH2 TRP A 81 1.959 -2.416 2.113 1.00 0.00 H new ATOM 1293 N GLY A 82 -1.537 1.021 8.626 1.00 0.00 N ATOM 1294 CA GLY A 82 -0.594 1.569 9.578 1.00 0.00 C ATOM 1295 C GLY A 82 -0.742 1.041 11.011 1.00 0.00 C ATOM 1296 O GLY A 82 0.255 1.109 11.732 1.00 0.00 O ATOM 0 H GLY A 82 -1.998 1.746 8.075 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.417 1.355 9.230 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.704 2.653 9.593 1.00 0.00 H new ATOM 1300 N THR A 83 -1.870 0.470 11.449 1.00 0.00 N ATOM 1301 CA THR A 83 -1.995 -0.161 12.772 1.00 0.00 C ATOM 1302 C THR A 83 -1.930 -1.706 12.717 1.00 0.00 C ATOM 1303 O THR A 83 -2.084 -2.377 13.735 1.00 0.00 O ATOM 1304 CB THR A 83 -3.168 0.472 13.547 1.00 0.00 C ATOM 1305 OG1 THR A 83 -3.125 0.153 14.922 1.00 0.00 O ATOM 1306 CG2 THR A 83 -4.545 0.110 13.005 1.00 0.00 C ATOM 0 H THR A 83 -2.726 0.431 10.895 1.00 0.00 H new ATOM 0 HA THR A 83 -1.113 0.060 13.373 1.00 0.00 H new ATOM 0 HB THR A 83 -3.030 1.544 13.406 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.890 -0.792 15.031 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.312 0.596 13.607 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.629 0.445 11.971 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.681 -0.971 13.049 1.00 0.00 H new ATOM 1314 N THR A 84 -1.695 -2.290 11.539 1.00 0.00 N ATOM 1315 CA THR A 84 -1.775 -3.716 11.259 1.00 0.00 C ATOM 1316 C THR A 84 -0.379 -4.355 11.048 1.00 0.00 C ATOM 1317 O THR A 84 -0.267 -5.555 10.790 1.00 0.00 O ATOM 1318 CB THR A 84 -2.808 -3.806 10.121 1.00 0.00 C ATOM 1319 OG1 THR A 84 -4.061 -3.531 10.714 1.00 0.00 O ATOM 1320 CG2 THR A 84 -2.873 -5.116 9.363 1.00 0.00 C ATOM 0 H THR A 84 -1.431 -1.748 10.716 1.00 0.00 H new ATOM 0 HA THR A 84 -2.121 -4.334 12.088 1.00 0.00 H new ATOM 0 HB THR A 84 -2.507 -3.093 9.354 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.762 -3.573 10.031 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.638 -5.051 8.589 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.906 -5.318 8.901 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.121 -5.923 10.052 1.00 0.00 H new ATOM 1328 N ASN A 85 0.696 -3.589 11.283 1.00 0.00 N ATOM 1329 CA ASN A 85 2.088 -4.002 11.517 1.00 0.00 C ATOM 1330 C ASN A 85 2.855 -4.193 10.210 1.00 0.00 C ATOM 1331 O ASN A 85 3.614 -5.158 10.080 1.00 0.00 O ATOM 1332 CB ASN A 85 2.224 -5.243 12.432 1.00 0.00 C ATOM 1333 CG ASN A 85 1.443 -5.144 13.725 1.00 0.00 C ATOM 1334 OD1 ASN A 85 1.385 -4.086 14.342 1.00 0.00 O ATOM 1335 ND2 ASN A 85 0.836 -6.230 14.166 1.00 0.00 N ATOM 0 H ASN A 85 0.606 -2.574 11.317 1.00 0.00 H new ATOM 0 HA ASN A 85 2.545 -3.174 12.060 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.889 -6.124 11.884 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.278 -5.395 12.667 1.00 0.00 H new ATOM 0 HD21 ASN A 85 0.305 -6.200 15.036 1.00 0.00 H new ATOM 0 HD22 ASN A 85 0.898 -7.099 13.636 1.00 0.00 H new ATOM 1342 N CYS A 86 2.677 -3.301 9.239 1.00 0.00 N ATOM 1343 CA CYS A 86 3.197 -3.444 7.885 1.00 0.00 C ATOM 1344 C CYS A 86 3.980 -2.191 7.481 1.00 0.00 C ATOM 1345 O CYS A 86 3.918 -1.161 8.163 1.00 0.00 O ATOM 1346 CB CYS A 86 2.034 -3.738 6.934 1.00 0.00 C ATOM 1347 SG CYS A 86 1.056 -5.146 7.559 1.00 0.00 S ATOM 0 H CYS A 86 2.153 -2.437 9.377 1.00 0.00 H new ATOM 0 HA CYS A 86 3.895 -4.279 7.834 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.399 -2.857 6.840 1.00 0.00 H new ATOM 0 HB3 CYS A 86 2.416 -3.964 5.938 1.00 0.00 H new ATOM 0 HG CYS A 86 0.703 -5.905 6.564 1.00 0.00 H new ATOM 1353 N THR A 87 4.752 -2.278 6.399 1.00 0.00 N ATOM 1354 CA THR A 87 5.842 -1.343 6.147 1.00 0.00 C ATOM 1355 C THR A 87 5.819 -0.728 4.749 1.00 0.00 C ATOM 1356 O THR A 87 5.100 -1.182 3.858 1.00 0.00 O ATOM 1357 CB THR A 87 7.177 -2.063 6.418 1.00 0.00 C ATOM 1358 OG1 THR A 87 7.310 -3.226 5.611 1.00 0.00 O ATOM 1359 CG2 THR A 87 7.341 -2.488 7.873 1.00 0.00 C ATOM 0 H THR A 87 4.640 -2.992 5.680 1.00 0.00 H new ATOM 0 HA THR A 87 5.718 -0.498 6.825 1.00 0.00 H new ATOM 0 HB THR A 87 7.949 -1.333 6.173 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.167 -3.661 5.803 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.301 -2.989 8.000 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.304 -1.608 8.515 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.536 -3.171 8.146 1.00 0.00 H new ATOM 1367 N VAL A 88 6.649 0.298 4.555 1.00 0.00 N ATOM 1368 CA VAL A 88 6.863 0.975 3.286 1.00 0.00 C ATOM 1369 C VAL A 88 7.306 -0.052 2.242 1.00 0.00 C ATOM 1370 O VAL A 88 6.831 0.001 1.115 1.00 0.00 O ATOM 1371 CB VAL A 88 7.947 2.063 3.456 1.00 0.00 C ATOM 1372 CG1 VAL A 88 8.453 2.612 2.113 1.00 0.00 C ATOM 1373 CG2 VAL A 88 7.422 3.242 4.278 1.00 0.00 C ATOM 0 H VAL A 88 7.210 0.692 5.311 1.00 0.00 H new ATOM 0 HA VAL A 88 5.938 1.449 2.957 1.00 0.00 H new ATOM 0 HB VAL A 88 8.773 1.574 3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.213 3.373 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.885 1.800 1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.621 3.053 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.207 3.992 4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.562 3.683 3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.123 2.892 5.266 1.00 0.00 H new ATOM 1383 N GLY A 89 8.225 -0.952 2.597 1.00 0.00 N ATOM 1384 CA GLY A 89 8.763 -1.970 1.710 1.00 0.00 C ATOM 1385 C GLY A 89 7.662 -2.910 1.247 1.00 0.00 C ATOM 1386 O GLY A 89 7.617 -3.262 0.069 1.00 0.00 O ATOM 0 H GLY A 89 8.622 -0.989 3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.232 -1.497 0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.539 -2.536 2.225 1.00 0.00 H new ATOM 1390 N ASP A 90 6.743 -3.253 2.155 1.00 0.00 N ATOM 1391 CA ASP A 90 5.560 -4.044 1.829 1.00 0.00 C ATOM 1392 C ASP A 90 4.735 -3.280 0.800 1.00 0.00 C ATOM 1393 O ASP A 90 4.413 -3.799 -0.266 1.00 0.00 O ATOM 1394 CB ASP A 90 4.721 -4.334 3.086 1.00 0.00 C ATOM 1395 CG ASP A 90 4.366 -5.817 3.199 1.00 0.00 C ATOM 1396 OD1 ASP A 90 3.311 -6.250 2.686 1.00 0.00 O ATOM 1397 OD2 ASP A 90 5.137 -6.533 3.885 1.00 0.00 O ATOM 0 H ASP A 90 6.802 -2.988 3.138 1.00 0.00 H new ATOM 0 HA ASP A 90 5.871 -5.005 1.419 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.274 -4.024 3.972 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.806 -3.742 3.058 1.00 0.00 H new ATOM 1402 N LEU A 91 4.418 -2.016 1.109 1.00 0.00 N ATOM 1403 CA LEU A 91 3.634 -1.149 0.245 1.00 0.00 C ATOM 1404 C LEU A 91 4.263 -1.054 -1.137 1.00 0.00 C ATOM 1405 O LEU A 91 3.559 -1.262 -2.112 1.00 0.00 O ATOM 1406 CB LEU A 91 3.439 0.237 0.879 1.00 0.00 C ATOM 1407 CG LEU A 91 2.784 1.262 -0.048 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.410 0.852 -0.584 1.00 0.00 C ATOM 1409 CD2 LEU A 91 2.634 2.577 0.709 1.00 0.00 C ATOM 0 H LEU A 91 4.707 -1.569 1.979 1.00 0.00 H new ATOM 0 HA LEU A 91 2.644 -1.590 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.828 0.132 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.409 0.619 1.197 1.00 0.00 H new ATOM 0 HG LEU A 91 3.438 1.349 -0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.023 1.639 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.503 -0.073 -1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.725 0.698 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.168 3.319 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.010 2.421 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.617 2.932 1.019 1.00 0.00 H new ATOM 1421 N VAL A 92 5.546 -0.722 -1.243 1.00 0.00 N ATOM 1422 CA VAL A 92 6.285 -0.675 -2.494 1.00 0.00 C ATOM 1423 C VAL A 92 6.064 -1.973 -3.260 1.00 0.00 C ATOM 1424 O VAL A 92 5.665 -1.928 -4.416 1.00 0.00 O ATOM 1425 CB VAL A 92 7.770 -0.414 -2.175 1.00 0.00 C ATOM 1426 CG1 VAL A 92 8.697 -0.814 -3.316 1.00 0.00 C ATOM 1427 CG2 VAL A 92 8.043 1.038 -1.763 1.00 0.00 C ATOM 0 H VAL A 92 6.115 -0.471 -0.434 1.00 0.00 H new ATOM 0 HA VAL A 92 5.934 0.135 -3.133 1.00 0.00 H new ATOM 0 HB VAL A 92 7.990 -1.054 -1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.730 -0.608 -3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.583 -1.878 -3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.443 -0.243 -4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 92 9.105 1.162 -1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.754 1.707 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.464 1.278 -0.871 1.00 0.00 H new ATOM 1437 N ASP A 93 6.306 -3.115 -2.633 1.00 0.00 N ATOM 1438 CA ASP A 93 6.236 -4.408 -3.295 1.00 0.00 C ATOM 1439 C ASP A 93 4.842 -4.675 -3.834 1.00 0.00 C ATOM 1440 O ASP A 93 4.690 -5.146 -4.963 1.00 0.00 O ATOM 1441 CB ASP A 93 6.627 -5.501 -2.300 1.00 0.00 C ATOM 1442 CG ASP A 93 8.075 -5.965 -2.434 1.00 0.00 C ATOM 1443 OD1 ASP A 93 8.861 -5.345 -3.189 1.00 0.00 O ATOM 1444 OD2 ASP A 93 8.455 -6.881 -1.677 1.00 0.00 O ATOM 0 H ASP A 93 6.558 -3.170 -1.646 1.00 0.00 H new ATOM 0 HA ASP A 93 6.926 -4.406 -4.139 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.465 -5.132 -1.287 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.966 -6.357 -2.437 1.00 0.00 H new ATOM 1449 N LEU A 94 3.825 -4.383 -3.026 1.00 0.00 N ATOM 1450 CA LEU A 94 2.429 -4.542 -3.389 1.00 0.00 C ATOM 1451 C LEU A 94 2.094 -3.605 -4.539 1.00 0.00 C ATOM 1452 O LEU A 94 1.437 -4.021 -5.489 1.00 0.00 O ATOM 1453 CB LEU A 94 1.548 -4.237 -2.177 1.00 0.00 C ATOM 1454 CG LEU A 94 1.695 -5.291 -1.065 1.00 0.00 C ATOM 1455 CD1 LEU A 94 1.322 -4.664 0.268 1.00 0.00 C ATOM 1456 CD2 LEU A 94 0.800 -6.496 -1.348 1.00 0.00 C ATOM 0 H LEU A 94 3.957 -4.022 -2.081 1.00 0.00 H new ATOM 0 HA LEU A 94 2.245 -5.568 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.808 -3.256 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.506 -4.188 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 94 2.729 -5.635 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.424 -5.406 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.984 -3.822 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.290 -4.314 0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.917 -7.231 -0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.240 -6.174 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.084 -6.944 -2.300 1.00 0.00 H new ATOM 1468 N LEU A 95 2.557 -2.355 -4.473 1.00 0.00 N ATOM 1469 CA LEU A 95 2.394 -1.357 -5.516 1.00 0.00 C ATOM 1470 C LEU A 95 2.996 -1.854 -6.823 1.00 0.00 C ATOM 1471 O LEU A 95 2.331 -1.790 -7.850 1.00 0.00 O ATOM 1472 CB LEU A 95 2.968 -0.001 -5.074 1.00 0.00 C ATOM 1473 CG LEU A 95 2.081 0.762 -4.078 1.00 0.00 C ATOM 1474 CD1 LEU A 95 2.654 2.154 -3.800 1.00 0.00 C ATOM 1475 CD2 LEU A 95 0.610 0.887 -4.470 1.00 0.00 C ATOM 0 H LEU A 95 3.071 -2.005 -3.664 1.00 0.00 H new ATOM 0 HA LEU A 95 1.330 -1.198 -5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.947 -0.163 -4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.123 0.621 -5.956 1.00 0.00 H new ATOM 0 HG LEU A 95 2.095 0.147 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.011 2.678 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.655 2.058 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.705 2.719 -4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.074 1.442 -3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.530 1.416 -5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.174 -0.107 -4.570 1.00 0.00 H new ATOM 1487 N VAL A 96 4.213 -2.389 -6.816 1.00 0.00 N ATOM 1488 CA VAL A 96 4.821 -2.959 -8.013 1.00 0.00 C ATOM 1489 C VAL A 96 4.005 -4.168 -8.510 1.00 0.00 C ATOM 1490 O VAL A 96 3.877 -4.352 -9.725 1.00 0.00 O ATOM 1491 CB VAL A 96 6.302 -3.278 -7.724 1.00 0.00 C ATOM 1492 CG1 VAL A 96 6.997 -3.949 -8.911 1.00 0.00 C ATOM 1493 CG2 VAL A 96 7.089 -1.994 -7.409 1.00 0.00 C ATOM 0 H VAL A 96 4.803 -2.440 -5.985 1.00 0.00 H new ATOM 0 HA VAL A 96 4.804 -2.241 -8.833 1.00 0.00 H new ATOM 0 HB VAL A 96 6.296 -3.956 -6.871 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.037 -4.153 -8.656 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.491 -4.885 -9.147 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.958 -3.288 -9.777 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.131 -2.246 -7.209 1.00 0.00 H new ATOM 0 HG22 VAL A 96 7.037 -1.317 -8.262 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.658 -1.509 -6.533 1.00 0.00 H new ATOM 1503 N GLN A 97 3.414 -4.969 -7.615 1.00 0.00 N ATOM 1504 CA GLN A 97 2.554 -6.090 -7.969 1.00 0.00 C ATOM 1505 C GLN A 97 1.327 -5.591 -8.757 1.00 0.00 C ATOM 1506 O GLN A 97 0.974 -6.183 -9.775 1.00 0.00 O ATOM 1507 CB GLN A 97 2.254 -6.929 -6.697 1.00 0.00 C ATOM 1508 CG GLN A 97 0.778 -7.235 -6.414 1.00 0.00 C ATOM 1509 CD GLN A 97 0.544 -8.399 -5.440 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -0.420 -9.156 -5.594 1.00 0.00 O ATOM 1511 NE2 GLN A 97 1.354 -8.573 -4.405 1.00 0.00 N ATOM 0 H GLN A 97 3.526 -4.849 -6.608 1.00 0.00 H new ATOM 0 HA GLN A 97 3.050 -6.778 -8.654 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.790 -7.875 -6.778 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.665 -6.402 -5.836 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.305 -6.340 -6.010 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.280 -7.461 -7.357 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.152 -7.952 -4.272 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.179 -9.328 -3.742 1.00 0.00 H new ATOM 1520 N ILE A 98 0.699 -4.491 -8.327 1.00 0.00 N ATOM 1521 CA ILE A 98 -0.465 -3.891 -8.996 1.00 0.00 C ATOM 1522 C ILE A 98 -0.063 -2.914 -10.122 1.00 0.00 C ATOM 1523 O ILE A 98 -0.927 -2.230 -10.679 1.00 0.00 O ATOM 1524 CB ILE A 98 -1.436 -3.258 -7.976 1.00 0.00 C ATOM 1525 CG1 ILE A 98 -0.786 -2.074 -7.254 1.00 0.00 C ATOM 1526 CG2 ILE A 98 -1.957 -4.291 -6.958 1.00 0.00 C ATOM 1527 CD1 ILE A 98 -1.766 -1.265 -6.418 1.00 0.00 C ATOM 0 H ILE A 98 0.988 -3.983 -7.491 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.004 -4.700 -9.488 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.293 -2.890 -8.541 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.011 -2.444 -6.609 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.321 -1.419 -7.991 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.637 -3.803 -6.260 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.486 -5.085 -7.484 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.117 -4.717 -6.409 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.239 -0.442 -5.934 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.550 -0.866 -7.061 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.212 -1.907 -5.658 1.00 0.00 H new ATOM 1539 N GLU A 99 1.233 -2.842 -10.459 1.00 0.00 N ATOM 1540 CA GLU A 99 1.815 -2.086 -11.574 1.00 0.00 C ATOM 1541 C GLU A 99 1.929 -0.574 -11.297 1.00 0.00 C ATOM 1542 O GLU A 99 2.161 0.227 -12.207 1.00 0.00 O ATOM 1543 CB GLU A 99 1.067 -2.424 -12.883 1.00 0.00 C ATOM 1544 CG GLU A 99 2.006 -2.725 -14.051 1.00 0.00 C ATOM 1545 CD GLU A 99 1.306 -3.568 -15.117 1.00 0.00 C ATOM 1546 OE1 GLU A 99 0.668 -2.982 -16.023 1.00 0.00 O ATOM 1547 OE2 GLU A 99 1.428 -4.811 -15.065 1.00 0.00 O ATOM 0 H GLU A 99 1.945 -3.341 -9.926 1.00 0.00 H new ATOM 0 HA GLU A 99 2.851 -2.403 -11.693 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.421 -3.285 -12.713 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.420 -1.588 -13.151 1.00 0.00 H new ATOM 0 HG2 GLU A 99 2.354 -1.791 -14.492 1.00 0.00 H new ATOM 0 HG3 GLU A 99 2.887 -3.253 -13.686 1.00 0.00 H new ATOM 1554 N LEU A 100 1.785 -0.167 -10.036 1.00 0.00 N ATOM 1555 CA LEU A 100 1.796 1.220 -9.567 1.00 0.00 C ATOM 1556 C LEU A 100 3.230 1.657 -9.266 1.00 0.00 C ATOM 1557 O LEU A 100 3.631 1.863 -8.117 1.00 0.00 O ATOM 1558 CB LEU A 100 0.868 1.399 -8.344 1.00 0.00 C ATOM 1559 CG LEU A 100 -0.546 1.918 -8.648 1.00 0.00 C ATOM 1560 CD1 LEU A 100 -0.503 3.375 -9.126 1.00 0.00 C ATOM 1561 CD2 LEU A 100 -1.309 1.056 -9.655 1.00 0.00 C ATOM 0 H LEU A 100 1.650 -0.831 -9.273 1.00 0.00 H new ATOM 0 HA LEU A 100 1.407 1.864 -10.355 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.781 0.439 -7.834 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.345 2.088 -7.647 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.093 1.859 -7.707 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.516 3.719 -9.335 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.060 4.000 -8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.097 3.443 -10.033 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.299 1.481 -9.822 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.762 1.028 -10.598 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.410 0.044 -9.264 1.00 0.00 H new ATOM 1573 N PHE A 101 4.020 1.814 -10.322 1.00 0.00 N ATOM 1574 CA PHE A 101 5.435 2.116 -10.180 1.00 0.00 C ATOM 1575 C PHE A 101 5.645 3.527 -9.625 1.00 0.00 C ATOM 1576 O PHE A 101 6.415 3.695 -8.692 1.00 0.00 O ATOM 1577 CB PHE A 101 6.183 1.886 -11.499 1.00 0.00 C ATOM 1578 CG PHE A 101 5.904 0.537 -12.143 1.00 0.00 C ATOM 1579 CD1 PHE A 101 6.088 -0.663 -11.425 1.00 0.00 C ATOM 1580 CD2 PHE A 101 5.410 0.489 -13.460 1.00 0.00 C ATOM 1581 CE1 PHE A 101 5.762 -1.894 -12.021 1.00 0.00 C ATOM 1582 CE2 PHE A 101 5.064 -0.740 -14.045 1.00 0.00 C ATOM 1583 CZ PHE A 101 5.258 -1.933 -13.330 1.00 0.00 C ATOM 0 H PHE A 101 3.701 1.736 -11.288 1.00 0.00 H new ATOM 0 HA PHE A 101 5.861 1.426 -9.452 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.912 2.675 -12.201 1.00 0.00 H new ATOM 0 HB3 PHE A 101 7.254 1.976 -11.317 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.479 -0.636 -10.419 1.00 0.00 H new ATOM 0 HD2 PHE A 101 5.296 1.403 -14.024 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.900 -2.812 -11.470 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.650 -0.768 -15.042 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.019 -2.881 -13.788 1.00 0.00 H new ATOM 1593 N ALA A 102 4.929 4.545 -10.108 1.00 0.00 N ATOM 1594 CA ALA A 102 5.129 5.932 -9.676 1.00 0.00 C ATOM 1595 C ALA A 102 5.207 6.112 -8.141 1.00 0.00 C ATOM 1596 O ALA A 102 6.198 6.683 -7.665 1.00 0.00 O ATOM 1597 CB ALA A 102 4.083 6.838 -10.334 1.00 0.00 C ATOM 0 H ALA A 102 4.196 4.433 -10.808 1.00 0.00 H new ATOM 0 HA ALA A 102 6.117 6.238 -10.020 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.237 7.867 -10.009 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.183 6.781 -11.418 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.084 6.511 -10.044 1.00 0.00 H new ATOM 1603 N PRO A 103 4.235 5.631 -7.340 1.00 0.00 N ATOM 1604 CA PRO A 103 4.303 5.705 -5.885 1.00 0.00 C ATOM 1605 C PRO A 103 5.356 4.760 -5.269 1.00 0.00 C ATOM 1606 O PRO A 103 6.036 5.186 -4.334 1.00 0.00 O ATOM 1607 CB PRO A 103 2.902 5.394 -5.374 1.00 0.00 C ATOM 1608 CG PRO A 103 2.281 4.589 -6.506 1.00 0.00 C ATOM 1609 CD PRO A 103 2.942 5.126 -7.760 1.00 0.00 C ATOM 0 HA PRO A 103 4.629 6.700 -5.583 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.931 4.824 -4.445 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.337 6.304 -5.172 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.469 3.522 -6.384 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.199 4.721 -6.540 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.053 4.343 -8.510 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.341 5.916 -8.211 1.00 0.00 H new ATOM 1617 N ALA A 104 5.524 3.525 -5.779 1.00 0.00 N ATOM 1618 CA ALA A 104 6.622 2.619 -5.393 1.00 0.00 C ATOM 1619 C ALA A 104 7.959 3.358 -5.519 1.00 0.00 C ATOM 1620 O ALA A 104 8.782 3.318 -4.605 1.00 0.00 O ATOM 1621 CB ALA A 104 6.591 1.338 -6.249 1.00 0.00 C ATOM 0 H ALA A 104 4.896 3.125 -6.476 1.00 0.00 H new ATOM 0 HA ALA A 104 6.498 2.313 -4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.408 0.681 -5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.641 0.825 -6.102 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.702 1.601 -7.301 1.00 0.00 H new ATOM 1627 N THR A 105 8.156 4.094 -6.612 1.00 0.00 N ATOM 1628 CA THR A 105 9.389 4.794 -6.895 1.00 0.00 C ATOM 1629 C THR A 105 9.538 6.001 -5.958 1.00 0.00 C ATOM 1630 O THR A 105 10.641 6.289 -5.503 1.00 0.00 O ATOM 1631 CB THR A 105 9.415 5.219 -8.366 1.00 0.00 C ATOM 1632 OG1 THR A 105 9.337 4.127 -9.247 1.00 0.00 O ATOM 1633 CG2 THR A 105 10.662 5.983 -8.770 1.00 0.00 C ATOM 0 H THR A 105 7.445 4.217 -7.333 1.00 0.00 H new ATOM 0 HA THR A 105 10.235 4.130 -6.718 1.00 0.00 H new ATOM 0 HB THR A 105 8.539 5.863 -8.445 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.426 3.765 -9.239 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.601 6.247 -9.826 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.741 6.892 -8.173 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.541 5.360 -8.602 1.00 0.00 H new ATOM 1641 N LEU A 106 8.442 6.714 -5.655 1.00 0.00 N ATOM 1642 CA LEU A 106 8.456 7.879 -4.769 1.00 0.00 C ATOM 1643 C LEU A 106 8.991 7.479 -3.394 1.00 0.00 C ATOM 1644 O LEU A 106 9.725 8.234 -2.749 1.00 0.00 O ATOM 1645 CB LEU A 106 7.026 8.448 -4.645 1.00 0.00 C ATOM 1646 CG LEU A 106 6.862 9.485 -3.513 1.00 0.00 C ATOM 1647 CD1 LEU A 106 7.608 10.797 -3.780 1.00 0.00 C ATOM 1648 CD2 LEU A 106 5.379 9.770 -3.298 1.00 0.00 C ATOM 0 H LEU A 106 7.517 6.493 -6.023 1.00 0.00 H new ATOM 0 HA LEU A 106 9.108 8.646 -5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.746 8.910 -5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.332 7.625 -4.474 1.00 0.00 H new ATOM 0 HG LEU A 106 7.305 9.051 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.451 11.481 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.674 10.594 -3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.231 11.250 -4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.261 10.502 -2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.947 10.164 -4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.867 8.848 -3.023 1.00 0.00 H new ATOM 1660 N LEU A 107 8.547 6.321 -2.911 1.00 0.00 N ATOM 1661 CA LEU A 107 8.915 5.815 -1.603 1.00 0.00 C ATOM 1662 C LEU A 107 10.274 5.151 -1.635 1.00 0.00 C ATOM 1663 O LEU A 107 11.002 5.282 -0.654 1.00 0.00 O ATOM 1664 CB LEU A 107 7.868 4.813 -1.130 1.00 0.00 C ATOM 1665 CG LEU A 107 6.615 5.536 -0.620 1.00 0.00 C ATOM 1666 CD1 LEU A 107 5.461 4.550 -0.678 1.00 0.00 C ATOM 1667 CD2 LEU A 107 6.780 6.085 0.802 1.00 0.00 C ATOM 0 H LEU A 107 7.916 5.706 -3.426 1.00 0.00 H new ATOM 0 HA LEU A 107 8.963 6.657 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.600 4.146 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.284 4.193 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 107 6.428 6.403 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.551 5.033 -0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.317 4.219 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.686 3.689 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.861 6.586 1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.991 5.264 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.605 6.797 0.824 1.00 0.00 H new ATOM 1679 N LEU A 108 10.594 4.413 -2.700 1.00 0.00 N ATOM 1680 CA LEU A 108 11.827 3.639 -2.755 1.00 0.00 C ATOM 1681 C LEU A 108 12.245 3.366 -4.208 1.00 0.00 C ATOM 1682 O LEU A 108 11.938 2.303 -4.745 1.00 0.00 O ATOM 1683 CB LEU A 108 11.600 2.346 -1.959 1.00 0.00 C ATOM 1684 CG LEU A 108 12.771 2.001 -1.054 1.00 0.00 C ATOM 1685 CD1 LEU A 108 12.332 0.831 -0.172 1.00 0.00 C ATOM 1686 CD2 LEU A 108 14.078 1.707 -1.798 1.00 0.00 C ATOM 0 H LEU A 108 10.013 4.338 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 108 12.651 4.197 -2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.698 2.449 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.427 1.523 -2.652 1.00 0.00 H new ATOM 0 HG LEU A 108 13.016 2.875 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.148 0.552 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 108 11.465 1.126 0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.070 -0.020 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 108 14.861 1.470 -1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 108 13.933 0.859 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.371 2.582 -2.378 1.00 0.00 H new ATOM 1698 N PRO A 109 12.948 4.288 -4.880 1.00 0.00 N ATOM 1699 CA PRO A 109 13.130 4.270 -6.325 1.00 0.00 C ATOM 1700 C PRO A 109 13.871 3.027 -6.815 1.00 0.00 C ATOM 1701 O PRO A 109 13.531 2.531 -7.887 1.00 0.00 O ATOM 1702 CB PRO A 109 13.846 5.564 -6.705 1.00 0.00 C ATOM 1703 CG PRO A 109 14.359 6.137 -5.382 1.00 0.00 C ATOM 1704 CD PRO A 109 13.525 5.469 -4.292 1.00 0.00 C ATOM 0 HA PRO A 109 12.160 4.216 -6.819 1.00 0.00 H new ATOM 0 HB2 PRO A 109 14.666 5.372 -7.397 1.00 0.00 H new ATOM 0 HB3 PRO A 109 13.168 6.259 -7.200 1.00 0.00 H new ATOM 0 HG2 PRO A 109 15.420 5.925 -5.249 1.00 0.00 H new ATOM 0 HG3 PRO A 109 14.244 7.221 -5.354 1.00 0.00 H new ATOM 0 HD2 PRO A 109 14.145 5.211 -3.433 1.00 0.00 H new ATOM 0 HD3 PRO A 109 12.747 6.142 -3.932 1.00 0.00 H new ATOM 1712 N ASP A 110 14.806 2.479 -6.036 1.00 0.00 N ATOM 1713 CA ASP A 110 15.624 1.331 -6.440 1.00 0.00 C ATOM 1714 C ASP A 110 15.002 -0.022 -6.071 1.00 0.00 C ATOM 1715 O ASP A 110 15.522 -1.067 -6.478 1.00 0.00 O ATOM 1716 CB ASP A 110 17.035 1.476 -5.854 1.00 0.00 C ATOM 1717 CG ASP A 110 17.798 2.577 -6.585 1.00 0.00 C ATOM 1718 OD1 ASP A 110 18.230 2.312 -7.733 1.00 0.00 O ATOM 1719 OD2 ASP A 110 17.898 3.691 -6.020 1.00 0.00 O ATOM 0 H ASP A 110 15.019 2.822 -5.099 1.00 0.00 H new ATOM 0 HA ASP A 110 15.677 1.337 -7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.973 1.710 -4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 110 17.572 0.531 -5.941 1.00 0.00 H new ATOM 1724 N ALA A 111 13.892 -0.044 -5.318 1.00 0.00 N ATOM 1725 CA ALA A 111 13.188 -1.293 -5.021 1.00 0.00 C ATOM 1726 C ALA A 111 12.606 -1.941 -6.284 1.00 0.00 C ATOM 1727 O ALA A 111 12.743 -3.154 -6.480 1.00 0.00 O ATOM 1728 CB ALA A 111 12.056 -1.025 -4.035 1.00 0.00 C ATOM 0 H ALA A 111 13.467 0.787 -4.907 1.00 0.00 H new ATOM 0 HA ALA A 111 13.915 -1.981 -4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.535 -1.957 -3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.467 -0.614 -3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.356 -0.311 -4.470 1.00 0.00 H new ATOM 1734 N VAL A 112 11.922 -1.143 -7.110 1.00 0.00 N ATOM 1735 CA VAL A 112 11.259 -1.577 -8.334 1.00 0.00 C ATOM 1736 C VAL A 112 12.283 -2.277 -9.234 1.00 0.00 C ATOM 1737 O VAL A 112 13.435 -1.840 -9.310 1.00 0.00 O ATOM 1738 CB VAL A 112 10.571 -0.358 -8.984 1.00 0.00 C ATOM 1739 CG1 VAL A 112 11.522 0.683 -9.597 1.00 0.00 C ATOM 1740 CG2 VAL A 112 9.485 -0.698 -10.003 1.00 0.00 C ATOM 0 H VAL A 112 11.814 -0.144 -6.935 1.00 0.00 H new ATOM 0 HA VAL A 112 10.474 -2.308 -8.138 1.00 0.00 H new ATOM 0 HB VAL A 112 10.094 0.094 -8.114 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.940 1.498 -10.027 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.180 1.076 -8.822 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.121 0.214 -10.377 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.061 0.223 -10.404 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.918 -1.282 -10.815 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.700 -1.278 -9.518 1.00 0.00 H new ATOM 1750 N PRO A 113 11.908 -3.359 -9.930 1.00 0.00 N ATOM 1751 CA PRO A 113 12.839 -4.202 -10.674 1.00 0.00 C ATOM 1752 C PRO A 113 13.387 -3.551 -11.957 1.00 0.00 C ATOM 1753 O PRO A 113 13.787 -4.269 -12.878 1.00 0.00 O ATOM 1754 CB PRO A 113 12.042 -5.487 -10.934 1.00 0.00 C ATOM 1755 CG PRO A 113 10.598 -5.015 -11.014 1.00 0.00 C ATOM 1756 CD PRO A 113 10.585 -3.968 -9.912 1.00 0.00 C ATOM 0 HA PRO A 113 13.754 -4.388 -10.111 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.356 -5.971 -11.859 1.00 0.00 H new ATOM 0 HB3 PRO A 113 12.181 -6.212 -10.132 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.354 -4.593 -11.989 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.888 -5.821 -10.828 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.809 -3.223 -10.089 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.376 -4.422 -8.943 1.00 0.00 H new ATOM 1764 N GLN A 114 13.394 -2.222 -12.084 1.00 0.00 N ATOM 1765 CA GLN A 114 13.749 -1.515 -13.302 1.00 0.00 C ATOM 1766 C GLN A 114 14.699 -0.363 -12.977 1.00 0.00 C ATOM 1767 O GLN A 114 14.612 0.252 -11.914 1.00 0.00 O ATOM 1768 CB GLN A 114 12.455 -1.067 -13.996 1.00 0.00 C ATOM 1769 CG GLN A 114 12.711 -0.567 -15.422 1.00 0.00 C ATOM 1770 CD GLN A 114 11.425 -0.531 -16.237 1.00 0.00 C ATOM 1771 OE1 GLN A 114 10.914 -1.568 -16.654 1.00 0.00 O ATOM 1772 NE2 GLN A 114 10.880 0.641 -16.498 1.00 0.00 N ATOM 0 H GLN A 114 13.145 -1.597 -11.317 1.00 0.00 H new ATOM 0 HA GLN A 114 14.288 -2.161 -13.995 1.00 0.00 H new ATOM 0 HB2 GLN A 114 11.752 -1.900 -14.025 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.987 -0.274 -13.413 1.00 0.00 H new ATOM 0 HG2 GLN A 114 13.149 0.430 -15.386 1.00 0.00 H new ATOM 0 HG3 GLN A 114 13.436 -1.216 -15.912 1.00 0.00 H new ATOM 0 HE21 GLN A 114 11.314 1.495 -16.146 1.00 0.00 H new ATOM 0 HE22 GLN A 114 10.025 0.694 -17.052 1.00 0.00 H new ATOM 1781 N THR A 115 15.590 -0.082 -13.931 1.00 0.00 N ATOM 1782 CA THR A 115 16.754 0.778 -13.778 1.00 0.00 C ATOM 1783 C THR A 115 17.701 0.199 -12.716 1.00 0.00 C ATOM 1784 O THR A 115 17.772 0.689 -11.589 1.00 0.00 O ATOM 1785 CB THR A 115 16.360 2.245 -13.523 1.00 0.00 C ATOM 1786 OG1 THR A 115 15.232 2.652 -14.286 1.00 0.00 O ATOM 1787 CG2 THR A 115 17.521 3.166 -13.899 1.00 0.00 C ATOM 0 H THR A 115 15.511 -0.468 -14.872 1.00 0.00 H new ATOM 0 HA THR A 115 17.304 0.797 -14.719 1.00 0.00 H new ATOM 0 HB THR A 115 16.113 2.316 -12.464 1.00 0.00 H new ATOM 0 HG1 THR A 115 15.023 3.588 -14.086 1.00 0.00 H new ATOM 0 HG21 THR A 115 17.237 4.202 -13.717 1.00 0.00 H new ATOM 0 HG22 THR A 115 18.393 2.917 -13.295 1.00 0.00 H new ATOM 0 HG23 THR A 115 17.762 3.036 -14.954 1.00 0.00 H new ATOM 1795 N VAL A 116 18.452 -0.829 -13.131 1.00 0.00 N ATOM 1796 CA VAL A 116 19.472 -1.538 -12.361 1.00 0.00 C ATOM 1797 C VAL A 116 18.856 -2.301 -11.183 1.00 0.00 C ATOM 1798 O VAL A 116 18.394 -1.722 -10.203 1.00 0.00 O ATOM 1799 CB VAL A 116 20.632 -0.598 -11.965 1.00 0.00 C ATOM 1800 CG1 VAL A 116 21.766 -1.370 -11.277 1.00 0.00 C ATOM 1801 CG2 VAL A 116 21.215 0.123 -13.187 1.00 0.00 C ATOM 0 H VAL A 116 18.354 -1.209 -14.073 1.00 0.00 H new ATOM 0 HA VAL A 116 19.919 -2.301 -12.999 1.00 0.00 H new ATOM 0 HB VAL A 116 20.212 0.134 -11.275 1.00 0.00 H new ATOM 0 HG11 VAL A 116 22.567 -0.680 -11.011 1.00 0.00 H new ATOM 0 HG12 VAL A 116 21.385 -1.849 -10.375 1.00 0.00 H new ATOM 0 HG13 VAL A 116 22.153 -2.130 -11.956 1.00 0.00 H new ATOM 0 HG21 VAL A 116 22.029 0.776 -12.870 1.00 0.00 H new ATOM 0 HG22 VAL A 116 21.595 -0.612 -13.896 1.00 0.00 H new ATOM 0 HG23 VAL A 116 20.437 0.719 -13.664 1.00 0.00 H new ATOM 1811 N LYS A 117 18.878 -3.632 -11.284 1.00 0.00 N ATOM 1812 CA LYS A 117 18.488 -4.558 -10.224 1.00 0.00 C ATOM 1813 C LYS A 117 19.635 -5.541 -9.964 1.00 0.00 C ATOM 1814 O LYS A 117 20.667 -5.439 -10.632 1.00 0.00 O ATOM 1815 CB LYS A 117 17.130 -5.210 -10.557 1.00 0.00 C ATOM 1816 CG LYS A 117 17.033 -6.084 -11.826 1.00 0.00 C ATOM 1817 CD LYS A 117 16.819 -5.302 -13.141 1.00 0.00 C ATOM 1818 CE LYS A 117 15.906 -6.106 -14.088 1.00 0.00 C ATOM 1819 NZ LYS A 117 15.454 -5.339 -15.270 1.00 0.00 N ATOM 0 H LYS A 117 19.178 -4.108 -12.135 1.00 0.00 H new ATOM 0 HA LYS A 117 18.323 -4.034 -9.283 1.00 0.00 H new ATOM 0 HB2 LYS A 117 16.838 -5.825 -9.706 1.00 0.00 H new ATOM 0 HB3 LYS A 117 16.391 -4.414 -10.643 1.00 0.00 H new ATOM 0 HG2 LYS A 117 17.946 -6.672 -11.915 1.00 0.00 H new ATOM 0 HG3 LYS A 117 16.211 -6.789 -11.702 1.00 0.00 H new ATOM 0 HD2 LYS A 117 16.372 -4.331 -12.928 1.00 0.00 H new ATOM 0 HD3 LYS A 117 17.779 -5.112 -13.622 1.00 0.00 H new ATOM 0 HE2 LYS A 117 16.439 -6.995 -14.425 1.00 0.00 H new ATOM 0 HE3 LYS A 117 15.033 -6.449 -13.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 15.066 -5.992 -15.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 14.718 -4.662 -14.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 16.260 -4.823 -15.678 1.00 0.00 H new ATOM 1833 N SER A 118 19.463 -6.453 -9.000 1.00 0.00 N ATOM 1834 CA SER A 118 20.298 -7.576 -8.560 1.00 0.00 C ATOM 1835 C SER A 118 20.200 -7.682 -7.035 1.00 0.00 C ATOM 1836 O SER A 118 19.414 -8.486 -6.524 1.00 0.00 O ATOM 1837 CB SER A 118 21.755 -7.541 -9.068 1.00 0.00 C ATOM 1838 OG SER A 118 22.508 -8.665 -8.640 1.00 0.00 O ATOM 0 H SER A 118 18.616 -6.413 -8.433 1.00 0.00 H new ATOM 0 HA SER A 118 19.906 -8.482 -9.022 1.00 0.00 H new ATOM 0 HB2 SER A 118 21.755 -7.501 -10.157 1.00 0.00 H new ATOM 0 HB3 SER A 118 22.237 -6.629 -8.715 1.00 0.00 H new ATOM 0 HG SER A 118 23.422 -8.598 -8.988 1.00 0.00 H new ATOM 1844 N LEU A 119 21.010 -6.917 -6.292 1.00 0.00 N ATOM 1845 CA LEU A 119 21.021 -7.032 -4.834 1.00 0.00 C ATOM 1846 C LEU A 119 19.727 -6.438 -4.267 1.00 0.00 C ATOM 1847 O LEU A 119 19.213 -5.470 -4.842 1.00 0.00 O ATOM 1848 CB LEU A 119 22.244 -6.346 -4.196 1.00 0.00 C ATOM 1849 CG LEU A 119 23.280 -7.358 -3.672 1.00 0.00 C ATOM 1850 CD1 LEU A 119 23.991 -8.082 -4.820 1.00 0.00 C ATOM 1851 CD2 LEU A 119 24.315 -6.650 -2.796 1.00 0.00 C ATOM 0 H LEU A 119 21.655 -6.224 -6.671 1.00 0.00 H new ATOM 0 HA LEU A 119 21.088 -8.091 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 119 22.716 -5.695 -4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 119 21.913 -5.711 -3.374 1.00 0.00 H new ATOM 0 HG LEU A 119 22.744 -8.100 -3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 119 24.715 -8.788 -4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 119 23.258 -8.620 -5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 119 24.507 -7.354 -5.445 1.00 0.00 H new ATOM 0 HD21 LEU A 119 25.042 -7.376 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 119 24.827 -5.887 -3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 119 23.815 -6.181 -1.949 1.00 0.00 H new ATOM 1863 N PRO A 120 19.209 -6.973 -3.149 1.00 0.00 N ATOM 1864 CA PRO A 120 18.143 -6.337 -2.380 1.00 0.00 C ATOM 1865 C PRO A 120 18.614 -5.018 -1.730 1.00 0.00 C ATOM 1866 O PRO A 120 19.819 -4.723 -1.736 1.00 0.00 O ATOM 1867 CB PRO A 120 17.754 -7.351 -1.294 1.00 0.00 C ATOM 1868 CG PRO A 120 18.522 -8.631 -1.610 1.00 0.00 C ATOM 1869 CD PRO A 120 19.692 -8.158 -2.459 1.00 0.00 C ATOM 0 HA PRO A 120 17.304 -6.078 -3.026 1.00 0.00 H new ATOM 0 HB2 PRO A 120 18.011 -6.977 -0.303 1.00 0.00 H new ATOM 0 HB3 PRO A 120 16.679 -7.531 -1.297 1.00 0.00 H new ATOM 0 HG2 PRO A 120 18.863 -9.127 -0.701 1.00 0.00 H new ATOM 0 HG3 PRO A 120 17.901 -9.346 -2.149 1.00 0.00 H new ATOM 0 HD2 PRO A 120 20.559 -7.927 -1.840 1.00 0.00 H new ATOM 0 HD3 PRO A 120 20.001 -8.927 -3.167 1.00 0.00 H new ATOM 1877 N PRO A 121 17.705 -4.258 -1.092 1.00 0.00 N ATOM 1878 CA PRO A 121 18.046 -3.111 -0.258 1.00 0.00 C ATOM 1879 C PRO A 121 18.678 -3.557 1.074 1.00 0.00 C ATOM 1880 O PRO A 121 18.061 -3.487 2.139 1.00 0.00 O ATOM 1881 CB PRO A 121 16.730 -2.343 -0.077 1.00 0.00 C ATOM 1882 CG PRO A 121 15.685 -3.448 -0.116 1.00 0.00 C ATOM 1883 CD PRO A 121 16.254 -4.409 -1.157 1.00 0.00 C ATOM 0 HA PRO A 121 18.802 -2.472 -0.714 1.00 0.00 H new ATOM 0 HB2 PRO A 121 16.707 -1.798 0.867 1.00 0.00 H new ATOM 0 HB3 PRO A 121 16.576 -1.613 -0.871 1.00 0.00 H new ATOM 0 HG2 PRO A 121 15.566 -3.927 0.856 1.00 0.00 H new ATOM 0 HG3 PRO A 121 14.705 -3.069 -0.407 1.00 0.00 H new ATOM 0 HD2 PRO A 121 15.958 -5.436 -0.943 1.00 0.00 H new ATOM 0 HD3 PRO A 121 15.881 -4.171 -2.153 1.00 0.00 H new ATOM 1891 N SER A 122 19.933 -4.004 1.038 1.00 0.00 N ATOM 1892 CA SER A 122 20.784 -4.120 2.214 1.00 0.00 C ATOM 1893 C SER A 122 20.922 -2.743 2.869 1.00 0.00 C ATOM 1894 O SER A 122 21.570 -1.861 2.298 1.00 0.00 O ATOM 1895 CB SER A 122 22.150 -4.662 1.788 1.00 0.00 C ATOM 1896 OG SER A 122 22.079 -6.061 1.610 1.00 0.00 O ATOM 0 H SER A 122 20.391 -4.299 0.176 1.00 0.00 H new ATOM 0 HA SER A 122 20.346 -4.807 2.938 1.00 0.00 H new ATOM 0 HB2 SER A 122 22.467 -4.185 0.861 1.00 0.00 H new ATOM 0 HB3 SER A 122 22.898 -4.420 2.543 1.00 0.00 H new ATOM 0 HG SER A 122 22.956 -6.401 1.336 1.00 0.00 H new ATOM 1902 N GLY A 123 20.316 -2.544 4.040 1.00 0.00 N ATOM 1903 CA GLY A 123 20.368 -1.289 4.772 1.00 0.00 C ATOM 1904 C GLY A 123 20.035 -1.521 6.245 1.00 0.00 C ATOM 1905 O GLY A 123 20.850 -2.125 6.949 1.00 0.00 O ATOM 0 H GLY A 123 19.768 -3.265 4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 123 21.361 -0.848 4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 123 19.663 -0.579 4.340 1.00 0.00 H new ATOM 1909 N PRO A 124 18.870 -1.082 6.755 1.00 0.00 N ATOM 1910 CA PRO A 124 18.493 -1.356 8.134 1.00 0.00 C ATOM 1911 C PRO A 124 18.278 -2.858 8.344 1.00 0.00 C ATOM 1912 O PRO A 124 17.806 -3.550 7.439 1.00 0.00 O ATOM 1913 CB PRO A 124 17.209 -0.563 8.381 1.00 0.00 C ATOM 1914 CG PRO A 124 16.586 -0.502 6.990 1.00 0.00 C ATOM 1915 CD PRO A 124 17.805 -0.353 6.083 1.00 0.00 C ATOM 0 HA PRO A 124 19.273 -1.060 8.836 1.00 0.00 H new ATOM 0 HB2 PRO A 124 16.555 -1.062 9.097 1.00 0.00 H new ATOM 0 HB3 PRO A 124 17.416 0.431 8.777 1.00 0.00 H new ATOM 0 HG2 PRO A 124 16.018 -1.404 6.761 1.00 0.00 H new ATOM 0 HG3 PRO A 124 15.901 0.340 6.890 1.00 0.00 H new ATOM 0 HD2 PRO A 124 17.611 -0.763 5.092 1.00 0.00 H new ATOM 0 HD3 PRO A 124 18.070 0.696 5.948 1.00 0.00 H new ATOM 1923 N SER A 125 18.612 -3.331 9.544 1.00 0.00 N ATOM 1924 CA SER A 125 18.463 -4.669 10.119 1.00 0.00 C ATOM 1925 C SER A 125 19.336 -4.688 11.366 1.00 0.00 C ATOM 1926 O SER A 125 20.478 -4.215 11.323 1.00 0.00 O ATOM 1927 CB SER A 125 18.870 -5.797 9.162 1.00 0.00 C ATOM 1928 OG SER A 125 17.802 -6.050 8.275 1.00 0.00 O ATOM 0 H SER A 125 19.049 -2.706 10.222 1.00 0.00 H new ATOM 0 HA SER A 125 17.412 -4.855 10.340 1.00 0.00 H new ATOM 0 HB2 SER A 125 19.764 -5.515 8.605 1.00 0.00 H new ATOM 0 HB3 SER A 125 19.115 -6.698 9.724 1.00 0.00 H new ATOM 0 HG SER A 125 17.574 -5.227 7.794 1.00 0.00 H new ATOM 1934 N SER A 126 18.802 -5.203 12.471 1.00 0.00 N ATOM 1935 CA SER A 126 19.443 -5.220 13.776 1.00 0.00 C ATOM 1936 C SER A 126 19.164 -6.575 14.420 1.00 0.00 C ATOM 1937 O SER A 126 18.286 -6.715 15.277 1.00 0.00 O ATOM 1938 CB SER A 126 18.973 -4.010 14.596 1.00 0.00 C ATOM 1939 OG SER A 126 17.592 -3.724 14.411 1.00 0.00 O ATOM 0 H SER A 126 17.878 -5.634 12.478 1.00 0.00 H new ATOM 0 HA SER A 126 20.526 -5.117 13.708 1.00 0.00 H new ATOM 0 HB2 SER A 126 19.163 -4.197 15.653 1.00 0.00 H new ATOM 0 HB3 SER A 126 19.561 -3.136 14.316 1.00 0.00 H new ATOM 0 HG SER A 126 17.343 -2.948 14.955 1.00 0.00 H new ATOM 1945 N GLY A 127 19.874 -7.591 13.946 1.00 0.00 N ATOM 1946 CA GLY A 127 19.794 -8.963 14.398 1.00 0.00 C ATOM 1947 C GLY A 127 21.072 -9.601 13.946 1.00 0.00 C ATOM 1948 O GLY A 127 22.137 -9.194 14.460 1.00 0.00 O ATOM 0 H GLY A 127 20.555 -7.467 13.197 1.00 0.00 H new ATOM 0 HA2 GLY A 127 19.690 -9.015 15.482 1.00 0.00 H new ATOM 0 HA3 GLY A 127 18.929 -9.469 13.970 1.00 0.00 H new TER 1952 GLY A 127